SCHEMBL8905707

SCHEMBL8905707

CCC#CCOc1cc2c(cc1C=Cc1ccccc1C(=O)O)C(C)(C)CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.43
HNF4A P41235 7/20 0.43
RARA P10276 3/20 0.39
RARB P10826 3/20 0.39
RARG P13631 3/20 0.39
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL8905703 1.00 RXRA (0.43) RXRAHNF4ARARARARBRARG
SCHEMBL8905100 0.85 RXRA (0.53) RXRAHNF4ARARARARBRARG
SCHEMBL7208528 0.84 RARB (0.59) RXRAHNF4ARARARARBRARG
SCHEMBL7208519 0.84 RARB (0.59) RXRAHNF4ARARARARBRARG
SCHEMBL8904416 0.83 RXRA (0.52) RXRAHNF4ARARARARBRARG
SCHEMBL8904383 0.82 RXRA (0.44) RXRAHNF4ARARARARBRARG
SCHEMBL8904386 0.82 RXRA (0.44) RXRAHNF4ARARARARBRARG
SCHEMBL8905715 0.81 RXRA (0.40) RXRAHNF4ARARARARBRARG
SCHEMBL7212264 0.78 RXRA (0.36) RXRAHNF4ARARARARBRARG
SCHEMBL7208553 0.76 RXRA (0.55) RXRARARARARBRARGRXRB

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-5700836-A TOPICALLY ADMINISTERING TO TREAT PHOTODAMAGED SKIN HOFFMANN-LA ROCHE INC. (US) 1997-12-23 US disclosed