SCHEMBL8876199

SCHEMBL8876199

COc1c2oc(=O)cc(C)c2cc2c(CN3C(=O)c4ccccc4C3=O)c(C)oc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.47
MAOA P21397 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MCL1 Q07820 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL4958027 0.89 KCNA3 (0.46) KCNA3MAOAL3MBTL1MAPTALDH1A1
SCHEMBL8876625 0.78 MAOA (0.53) KCNA3MAOAL3MBTL1MAPTALDH1A1
SCHEMBL8876678 0.78 MAOA (0.50) KCNA3MAOAL3MBTL1MAPTALDH1A1
SCHEMBL8875490 0.78 MAOA (0.50) KCNA3MAOAL3MBTL1MAPTALDH1A1
Hydrochloric Acid SCHEMBL8877736 0.77 MAOA (0.49) KCNA3MAOAL3MBTL1MAPTALDH1A1
SCHEMBL4379178 0.76 L3MBTL1 (0.48) KCNA3MAOAL3MBTL1MAPTALDH1A1
SCHEMBL8899057 0.76 MAOA (0.48) KCNA3MAOAL3MBTL1MAPTALDH1A1
SCHEMBL6996833 0.74 ERAP1 (0.63) MAOAMAPTALDH1A1LMNAHPGD
SCHEMBL10404938 0.74 KCNA3 (0.52) KCNA3MAOAL3MBTL1MAPTALDH1A1
SCHEMBL11310023 0.73 MAPT (0.42) KCNA3MAOAL3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5659050-A FOR INACTIVATING CONTAMINANTS IN MATERIAL INTENDED FOR IN VITRO CLINICAL TESTING CERUS CORPORATION (US) 1997-08-19 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