SCHEMBL8875490

SCHEMBL8875490

COc1c2oc(=O)cc(C)c2cc2c(CN)c(C)oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
KCNA3 P22001 1/20 0.44
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 2/20 0.43
MCL1 Q07820 2/20 0.41
ALPL P05186 3/20 0.40
LMNA P02545 3/20 0.40
ALPI P09923 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 2/20 0.39
MAOB P27338 1/20 0.38
HTT P42858 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 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 SCHEMBL8877736 0.99 MAOA (0.49) MAOAL3MBTL1KCNA3KDM4EALDH1A1
SCHEMBL8899057 0.90 MAOA (0.48) MAOAL3MBTL1KCNA3KDM4EALDH1A1
SCHEMBL8876678 0.86 MAOA (0.50) MAOAL3MBTL1KCNA3KDM4EALDH1A1
SCHEMBL8876625 0.86 MAOA (0.53) MAOAL3MBTL1KCNA3KDM4EALDH1A1
SCHEMBL410269 0.86 KDM4E (0.51) MAOAL3MBTL1KCNA3KDM4EALDH1A1
SCHEMBL29874549 0.86 KDM4E (0.51) MAOAL3MBTL1KCNA3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1001446 0.85 KDM4E (0.50) MAOAL3MBTL1KCNA3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL30428272 0.85 KDM4E (0.50) MAOAL3MBTL1KCNA3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1003339 0.83 MAOA (0.49) MAOAL3MBTL1KCNA3KDM4EALDH1A1
SCHEMBL8875649 0.78 MAOA (0.52) MAOAL3MBTL1KCNA3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5665762-A Decontaminating clinical samples CARUS CORPORATION (US) 1997-09-09 US claimed
US-5659050-A FOR INACTIVATING CONTAMINANTS IN MATERIAL INTENDED FOR IN VITRO CLINICAL TESTING CERUS CORPORATION (US) 1997-08-19 US claimed
US-5582994-A CONTACTING SAMPLES PRIOR TO TESTING TO INACTIVATE PATHOGENS STERITECH, INC. (US) 1996-12-10 US claimed
US-5556958-A AMINOPSORALENS STERITECH, INC. (US) 1996-09-17 US claimed
WO-1994020090-A1 DECONTAMINATING CLINICAL SAMPLES STERITECH, INC. (US) 1994-09-15 WO claimed
US-5665762-A Decontaminating clinical samples CARUS CORPORATION (US) 1997-09-09 US disclosed
US-5659050-A FOR INACTIVATING CONTAMINANTS IN MATERIAL INTENDED FOR IN VITRO CLINICAL TESTING CERUS CORPORATION (US) 1997-08-19 US disclosed
US-5582994-A CONTACTING SAMPLES PRIOR TO TESTING TO INACTIVATE PATHOGENS STERITECH, INC. (US) 1996-12-10 US disclosed
US-5556958-A AMINOPSORALENS STERITECH, INC. (US) 1996-09-17 US disclosed
WO-1994020090-A1 DECONTAMINATING CLINICAL SAMPLES STERITECH, INC. (US) 1994-09-15 WO disclosed