SCHEMBL3359548

SCHEMBL3359548

Cc1cc(=O)oc2c(C)c3oc(COCCN)c(C)c3cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR2C P28335 1/20 0.45
ADORA2A P29274 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 5/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 3/20 0.40
KCNA3 P22001 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
UBE2N P61088 1/20 0.40
GAA P10253 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL4194217 0.99 MAOA (0.44) MAOAMAOBKDM4EALDH1A1MAPK1
Amotosalen SCHEMBL599618 0.84 MAOA (0.44) MAOAMAOBKDM4EALDH1A1MAPK1
Amotosalen SCHEMBL29442584 0.84 MAOA (0.44) MAOAMAOBKDM4EALDH1A1MAPK1
Amotosalen SCHEMBL4197287 0.82 MAOA (0.43) MAOAMAOBKDM4EALDH1A1MAPK1
SCHEMBL498438 0.82 KDM4E (0.53) MAOAMAOBKDM4EALDH1A1MAPK1
Amotosalen SCHEMBL15229366 0.81 MAOA (0.42) MAOAMAOBKDM4EALDH1A1MAPK1
SCHEMBL6993313 0.81 MCL1 (0.41) MAOAMAOBKDM4EALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7001517 0.80 MCL1 (0.41) MAOAMAOBKDM4EALDH1A1MAPK1
SCHEMBL6992711 0.77 ALDH1A1 (0.41) MAOAMAOBKDM4EALDH1A1MAPK1
SCHEMBL3359666 0.77 MAOA (0.45) MAOAMAOBKDM4EALDH1A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1508345-B1 System and method for the reduction of small organic compounds from blood products CERUS CORP (US) 2013-09-25 EP claimed
US-7611831-B2 Adsorbing pathogen-inactivating compounds with porous particles immobilized in a matrix CERUS CORPORATION (US) 2009-11-03 US claimed
US-20060093999-A1 For reducing the concentration of low molecular weight compounds in a biological composition containing cells while substantially maintaining a desired biological activity; comprises highly porous adsorbent particles CERUS CORPORATION 2006-05-04 US claimed
US-7037642-B2 Removing compounds from blood products with porous particles immobilized in a matrix CERUS CORPORATION (US) 2006-05-02 US claimed
US-6951713-B2 Absorbing pathogen-inactivating compounds with porous particles immobilized in a matrix CERUS CORPORATION (US) 2005-10-04 US claimed
US-20050142542-A1 ABSORBING PATHOGEN-INACTIVATING COMPOUNDS WITH POROUS PARTICLES IMMOBILIZED IN A MATRIX CERUS CORPORATION 2005-06-30 US claimed
EP-1508345-A1 Absorbents and devices for the reduction of small organic compounds from blood products Cerus Corporation (US) 2005-02-23 EP claimed
EP-0954374-B1 ADSORBENS AND DEVICES FOR THE REDUCTION OF SMALL ORGANIC COMPOUNDS FROM BLOOD PRODUCTS CERUS CORP (US) 2004-11-24 EP claimed
US-5712085-A PLATELET STORAGE CERUS CORPORATION (US) 1998-01-27 US claimed
EP-0707476-A1 COMPOUNDS FOR THE PHOTODECONTAMINATION OF PATHOGENS IN BLOOD STERITECH, INC (US) 1996-04-24 EP claimed
WO-1995000141-A1 COMPOUNDS FOR THE PHOTODECONTAMINATION OF PATHOGENS IN BLOOD STERITECH, INC. (US) 1995-01-05 WO claimed
US-20160354533-A1 ADSORBING PATHOGEN-INACTIVATING COMPOUNDS WITH POROUS PARTICLES IMMOBILIZED IN A MATRIX CERUS CORPORATION (US) 2016-12-08 US disclosed
US-9259525-B2 Adsorbing pathogen-inactivating compounds with porous particles immobilized in a matrix CERUS CORPORATION (US) 2016-02-16 US disclosed
EP-1508345-B1 System and method for the reduction of small organic compounds from blood products CERUS CORP (US) 2013-09-25 EP disclosed
US-20100133160-A1 ADSORBING PATHOGEN-INACTIVATING COMPOUNDS WITH POROUS PARTICLES IMMOBILIZED IN A MATRIX CERUS CORPORATION 2010-06-03 US disclosed
WO-1996040857-A1 METHODS AND DEVICES FOR THE REMOVAL OF PSORALENS FROM BLOOD PRODUCTS CERUS CORPORATION (US) 1996-12-19 WO disclosed
US-5556993-A PSORALEN COMPOUNDS FOR DEACTIVATION OF HEPATITIS AND HIVVIRUSES STERITECH, INC. (US) 1996-09-17 US disclosed
WO-1996014739-A1 COMPOUNDS FOR THE PHOTODECONTAMINATION OF PATHOGENS IN BLOOD CERUS CORPORATION (US) 1996-05-23 WO disclosed
EP-0707476-A1 COMPOUNDS FOR THE PHOTODECONTAMINATION OF PATHOGENS IN BLOOD STERITECH, INC (US) 1996-04-24 EP disclosed
WO-1995000141-A1 COMPOUNDS FOR THE PHOTODECONTAMINATION OF PATHOGENS IN BLOOD STERITECH, INC. (US) 1995-01-05 WO disclosed