SCHEMBL9632653

SCHEMBL9632653

CCC(C)COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC(C)CC)cc3)c(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
MAPT P10636 4/20 0.44
ACACB O00763 3/20 0.43
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
ELANE P08246 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PRSS1 P07477 1/20 0.39
TMPRSS15 P98073 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL17304609 0.85 KMT2A (0.53) MAPTKMT2AKDM4EPOLBMAPK1
SCHEMBL20931321 0.84 MAPT (0.55) FFAR1MAPTKMT2APOLBCCNC
SCHEMBL17301240 0.83 KMT2A (0.47) MAPTKMT2AKDM4EPOLBMAPK1
SCHEMBL8940313 0.82 NPC1 (0.41) MAPTACACBKMT2APOLBPRSS1
SCHEMBL8940309 0.82 NPC1 (0.41) MAPTACACBKMT2APOLBPRSS1
SCHEMBL17301241 0.81 KMT2A (0.49) MAPTKMT2ACCNCCDK8NPC1
SCHEMBL9779342 0.80 FFAR1 (0.44) FFAR1MAPTKMT2APOLBPRSS1
SCHEMBL9779619 0.80 FFAR1 (0.44) FFAR1MAPTKMT2APOLBPRSS1
SCHEMBL10833945 0.80 NPC1 (0.48) MAPTKMT2APOLBPRSS1NPC1
SCHEMBL10525375 0.80 NPC1 (0.48) MAPTKMT2APOLBPRSS1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345357-B1 LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1992-12-23 EP disclosed
EP-0347468-B1 LIQUID CRYSTAL COMPOSITION Chisso Corporation (JP) 1992-05-20 EP disclosed
US-5094776-A Cyanobiphenyls and ester and ether derivatives CHISSO CORPORATION (JP) 1992-03-10 US disclosed
US-5085799-A Mixtures of cyanobiphenyls CHISSO CORPORATION (JP) 1992-02-04 US disclosed
EP-0347468-A1 LIQUID CRYSTAL COMPOSITION Chisso Corporation (JP) 1989-12-27 EP disclosed
EP-0345357-A1 LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1989-12-13 EP disclosed