SCHEMBL7941372

SCHEMBL7941372

C=CC(c1ccc(C(=O)OC)nc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.43
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.37
RXRB P28702 9/20 0.37
RXRG P48443 9/20 0.37
RARB P10826 5/20 0.37
RARG P13631 5/20 0.37
HNF4A P41235 3/20 0.36
RARA P10276 3/20 0.35
PPARG P37231 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 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
SCHEMBL7922997 0.89 RXRA (0.52) RXRARXRBRXRGRARBRARG
SCHEMBL7947687 0.87 CYP3A4 (0.42) RXRACYP3A4MAPK1RXRBRXRG
SCHEMBL14212728 0.84 RXRA (0.46) RXRACYP3A4MAPK1RXRBRXRG
SCHEMBL7931982 0.80 RXRA (0.42) RXRARXRBRXRGRARBRARG
SCHEMBL7949488 0.80 RXRA (0.43) RXRACYP3A4MAPK1RXRBRXRG
SCHEMBL7923000 0.77 RXRA (0.49) RXRACYP3A4RXRBRXRGRARB
SCHEMBL7931172 0.76 RXRA (0.70) RXRARXRBRXRGRARBRARG
SCHEMBL12426168 0.73 RXRA (0.70) RXRAMAPK1RXRBRXRGRARB
SCHEMBL12426169 0.73 RXRA (0.60) RXRACYP3A4MAPK1RXRBRXRG
SCHEMBL12426978 0.72 RXRA (0.56) RXRACYP3A4MAPK1RXRBRXRG

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-6265423-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE EUROPEEN DE BIOPROSPECTIVE-CEB (FR) 2001-07-24 US disclosed