SCHEMBL7875934

SCHEMBL7875934

CC(=O)COc1c(C)c2ccc(C)c(C)c2oc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.54
MAOB P27338 6/20 0.54
KDM4E B2RXH2 11/20 0.53
ALDH1A1 P00352 11/20 0.53
HPGD P15428 8/20 0.53
RAB9A P51151 8/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
HSD17B10 Q99714 7/20 0.53
NPC1 O15118 7/20 0.53
HTT P42858 3/20 0.53
MAPK1 P28482 1/20 0.53
TP53 P04637 1/20 0.52
LMNA P02545 3/20 0.49
TSHR P16473 3/20 0.49
POLB P06746 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NQO1 P15559 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL7847385 0.85 KDM4E (0.49) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL7848347 0.79 MAOA (0.45) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL7848066 0.79 MAOA (0.47) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL6991857 0.70 KDM4E (0.75) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL24045241 0.69 KDM4E (0.68) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10016549 0.69 ALDH1A1 (1.00) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL2761680 0.66 ALDH1A1 (0.60) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL836542 0.65 KMT2A (0.56) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6995853 0.64 GBA1 (0.68) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL14523078 0.64 ALDH1A1 (0.42) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840781-A4 METHODS AND DEVICES FOR THE REMOVAL OF PSORALENS FROM BLOOD PRODUCTS CERUS CORP (US) 2001-03-21 EP disclosed
EP-0840781-A1 METHODS AND DEVICES FOR THE REMOVAL OF PSORALENS FROM BLOOD PRODUCTS Cerus Corporation (US) 1998-05-13 EP disclosed
WO-1997021346-A1 INACTIVATION OF NON-ENVELOPED VIRUS CERUS CORPORATION (US) 1997-06-19 WO disclosed
WO-1996040857-A1 METHODS AND DEVICES FOR THE REMOVAL OF PSORALENS FROM BLOOD PRODUCTS CERUS CORPORATION (US) 1996-12-19 WO disclosed
WO-1996039820-A1 METHODS OF INACTIVATING LEUKOCYTES AND INHIBITING CYTOKINE PRODUCTION IN BLOOD PRODUCTS CERUS CORPORATION (US) 1996-12-19 WO 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