SCHEMBL2308024

SCHEMBL2308024

O=c1c2cccc(CCO)c2sc2c(CCO)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
MAOB P27338 1/20 0.36
KDM4E B2RXH2 2/20 0.33
GLA P06280 3/20 0.33
MAOA P21397 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
PGAM1 P18669 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
MCL1 Q07820 1/20 0.31
PARP1 P09874 1/20 0.31
HCRTR1 O43613 1/20 0.31

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
SCHEMBL2310829 0.89 CYP19A1 (0.53) CYP19A1MAOBKDM4EMAOAALDH1A1
SCHEMBL2309599 0.84 CYP19A1 (0.40) CYP19A1MAOBMAOAALDH1A1MAPT
SCHEMBL2313006 0.82 CYP19A1 (0.40) CYP19A1KDM4EALDH1A1MAPTCASP7
SCHEMBL2307290 0.82 CYP19A1 (0.40) CYP19A1MAOBKDM4EMAOAALDH1A1
SCHEMBL31083354 0.73 CYP2A6 (0.40) MAOBKDM4EMAPTCYP3A4SMN1; SMN2
SCHEMBL4689929 0.73 GABRA1 (0.37) ALDH1A1
SCHEMBL11315591 0.73 TDP1 (0.42) KDM4EALDH1A1MAPTPARP1LMNA
SCHEMBL18148976 0.72 CCNE2 (0.36) MAOBMAOAMCL1PARP1CCNE2
SCHEMBL2310488 0.72 MAPT (0.43) CYP19A1MAOBKDM4EMAOAALDH1A1
SCHEMBL2312878 0.71 MAOA (0.48) CYP19A1MAOBKDM4EMAOAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989517-B2 Actinic ray curable composition, actinic ray curable ink, and image formation process employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-08-02 US disclosed
US-20070123600-A1 ACTINIC RAY CURABLE COMPOSITION, ACTINIC RAY CURABLE INK, AND IMAGE FORMATION PROCESS EMPLOYING THE SAME KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-05-31 US disclosed