SCHEMBL11215262

SCHEMBL11215262

CC(O)c1ccc2c(c1)C(C)(C)CC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.46
RXRB P28702 5/20 0.46
RARB P10826 8/20 0.42
RARG P13631 8/20 0.42
RARA P10276 6/20 0.42
UGT2B7 P16662 1/20 0.41
CYP26A1 O43174 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP26B1 Q9NR63 1/20 0.40
NOX1 Q9Y5S8 1/20 0.36
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
RXRG P48443 3/20 0.33

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
SCHEMBL3541162 0.89 RXRA (0.58) RXRARXRBRARBRARGRARA
SCHEMBL9418950 0.85 RXRA (0.51) RXRARXRBRARBRARGRARA
SCHEMBL11227826 0.81 RXRA (0.43) RXRARXRBRARBRARGRARA
SCHEMBL7787543 0.80 ABCB11 (0.46) RXRARXRBRARBRARGRARA
Bromide SCHEMBL9159462 0.79 RXRA (0.42) RXRARXRBRARBRARGRARA
SCHEMBL9419052 0.76 UGT2B7 (0.35) RXRARXRBRARBRARGRARA
SCHEMBL31085264 0.74 RXRA (0.41) RXRARXRBRARBRARGRARA
SCHEMBL31003100 0.73 RXRA (0.40) RXRARXRBRARBRARGRARA
SCHEMBL3175854 0.72 RXRA (0.57) RXRARXRBRARBRARGRARA
Bromide SCHEMBL9860803 0.72 RXRA (0.40) RXRARXRBRARBRARGRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4326055-A ANTITUMOR AGENTS, SKIN DISORDERS, RHEUMATIC DISEASES HOFFMANN-LA ROCHE INC. (US) 1982-04-20 US disclosed
EP-0002742-B1 STILBENE DERIVATIVES, THEIR PREPARATION AND MEDICINES CONTAINING THESE STILBENE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-04-14 EP disclosed
US-4193931-A 7-(INDANYL OR NAPHTHYL)-3-METHYL-OCTA-2,4,6-TRIENE DERIVATIVES, ANTITUMOR HOFFMANN-LA ROCHE INC. (US) 1980-03-18 US disclosed
EP-0002742-A1 Stilbene derivatives, their preparation and medicines containing these stilbene derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-07-11 EP disclosed