SCHEMBL11214331

SCHEMBL11214331

CC(=O)c1cc2c(cc1Cl)C(C)(C)CC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.49
RARB P10826 7/20 0.47
RARG P13631 7/20 0.47
FTO Q9C0B1 2/20 0.36
RXRB P28702 4/20 0.35
RARA P10276 5/20 0.34
RXRG P48443 3/20 0.34
AKR1B1 P15121 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP26A1 O43174 1/20 0.33
ABCB11 O95342 1/20 0.33
ESR1 P03372 1/20 0.33
PGR P06401 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 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
SCHEMBL13668260 0.91 RXRA (0.46) RXRARARBRARGFTORXRB
SCHEMBL9859988 0.89 RXRA (0.60) RXRARARBRARGRXRBRARA
SCHEMBL8851470 0.79 RXRA (0.49) RXRARARBRARGRXRBRARA
SCHEMBL13668272 0.79 FTO (0.46) RXRARARBRARGFTOAKR1B1
SCHEMBL11258404 0.78 RXRA (0.35) RXRARARBRARGRXRBRARA
SCHEMBL17968225 0.78 RXRA (0.49) RXRARARBRARGRXRBRARA
SCHEMBL13668361 0.77 RXRA (0.52) RXRARARBRARGRXRBRARA
SCHEMBL16812205 0.77 FTO (0.42) RXRARARBRARGFTOAKR1B1
SCHEMBL13668270 0.77 RXRA (0.36) RXRARARBRARGRXRBRARA
SCHEMBL7223558 0.76 RXRA (0.71) RXRARARBRARGRXRBRARA

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 3 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
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