SCHEMBL8915164

SCHEMBL8915164

CC1(C)CCC(C)(C)c2cc(C(C=O)C3CC3)c(OCc3ccccc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 4/20 0.38
RXRA P19793 3/20 0.38
KDM1A O60341 2/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
CYP19A1 P11511 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ERN1 O75460 1/20 0.34
HIF1A Q16665 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8008412 0.86 RXRA (0.44) HNF4ARXRA
SCHEMBL8899696 0.82 HNF4A (0.40) HNF4ARXRAKDM1AHTR2CHTR2B
SCHEMBL8888371 0.82 RXRA (0.42) HNF4ARXRAMAPTGAA
SCHEMBL8008022 0.80 RXRA (0.39) HNF4ARXRA
SCHEMBL8890308 0.73 CCNB2 (0.40) HNF4ARXRACCNB2CDK1CDK4
SCHEMBL6916083 0.73 CCNB2 (0.40) HNF4ARXRACCNB2CDK1CDK4
SCHEMBL6917161 0.73 MAOB (0.55) HNF4ARXRABRD4MAPTTDP1
SCHEMBL6917354 0.71 CCNB2 (0.38) HNF4ARXRACCNB2CDK1CDK4
SCHEMBL28061354 0.71 GLRA1 (0.47) HTR2CHTR1A
SCHEMBL6473706 0.71 LIPE (0.56) HNF4ARXRAHIF1AMAPTMAPK1

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
WO-1997012853-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-04-10 WO disclosed