SCHEMBL14192537

SCHEMBL14192537

C=CC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(C)c2cc(OCC)ccc2-3)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.39
MAOB P27338 8/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
MAOA P21397 1/20 0.37
THRB P10828 2/20 0.36
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14192586 0.87 PTPN11 (0.44) KMT2ALMNATHRBMAPTALDH1A1
SCHEMBL21266383 0.81 MAPT (0.39) KMT2ALMNATHRBMAPTSMN1; SMN2
SCHEMBL14192517 0.81 SRD5A1 (0.43) KMT2ALMNAMAOBCCNCCDK8
SCHEMBL14588245 0.80 KMT2A (0.48) KMT2ALMNACCNCCDK8THRB
SCHEMBL23082521 0.79 THRB (0.35) KMT2ATHRBMAPTKDM4EALDH1A1
SCHEMBL21266163 0.77 MAPT (0.39) KMT2ALMNATHRBMAPTSMN1; SMN2
SCHEMBL21266315 0.76 PPARD (0.40) KMT2ALMNATHRBMAPTALDH1A1
SCHEMBL13806838 0.75 ADRB2 (0.44) KMT2ALMNAMAPTKDM4EALDH1A1
SCHEMBL22099354 0.75 THRB (0.36) KMT2ATHRBMAPT
SCHEMBL23082414 0.75 THRB (0.39) KMT2ALMNATHRBMAPTALDH1A1

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