SCHEMBL14192517

SCHEMBL14192517

C=CC(=O)c1ccc(OC(=O)c2ccc3c(c2)Cc2cc(OCC)ccc2-3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 1/20 0.43
KMT2A Q03164 3/20 0.42
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.39
MAOB P27338 4/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
MEN1 O00255 1/20 0.38
MAOA P21397 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
SCHEMBL14192558 0.91 KMT2A (0.44) SRD5A1SRD5A2KMT2AMAPTNPC1
SCHEMBL14192588 0.90 NPC1 (0.38) SRD5A1SRD5A2KMT2AMAPTNPC1
SCHEMBL14192490 0.89 LMNA (0.49) KMT2AMAPTNPC1LMNASMN1; SMN2
SCHEMBL14192599 0.87 MAPT (0.35) SRD5A1SRD5A2KMT2AMAPTNPC1
SCHEMBL14192562 0.87 NPC1 (0.47) KMT2AMAPTNPC1LMNASMN1; SMN2
SCHEMBL14088430 0.83 THRB (0.43) KMT2AMAPTNPC1RAB9ALMNA
SCHEMBL14192491 0.83 ACACB (0.45) KMT2AMAPTNPC1LMNAMAOB
SCHEMBL14192561 0.81 NPC1 (0.48) KMT2AMAPTNPC1LMNASMN1; SMN2
SCHEMBL14192537 0.81 KMT2A (0.41) SRD5A1SRD5A2KMT2AMAPTLMNA
SCHEMBL14192538 0.81 NPC1 (0.41) KMT2AMAPTNPC1LMNACCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7357964-B2 Liquid-crystalline vinyl ketone derivatives and their polymers CHISSO CORPORATION (JP) 2008-04-15 US disclosed