SCHEMBL11211048

SCHEMBL11211048

C/C(=C\c1ccc(C(=O)O)c(Cc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 17/20 0.57
RARB P10826 15/20 0.57
RARA P10276 15/20 0.57
RXRA P19793 14/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
CYP26A1 O43174 1/20 0.57
GMNN O75496 1/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
POLB P06746 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
NFKB1 P19838 1/20 0.57
CYP2C19 P33261 1/20 0.57
THPO P40225 1/20 0.57
MTOR P42345 1/20 0.57

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
SCHEMBL11211053 1.00 RARG (0.57) RARGRARBRARARXRAKDM4E
SCHEMBL4022980 0.83 RARG (0.70) RARGRARBRARARXRAKDM4E
SCHEMBL4022985 0.83 RARG (0.70) RARGRARBRARARXRAKDM4E
SCHEMBL7548134 0.82 RARG (0.70) RARGRARBRARARXRAKDM4E
SCHEMBL7548126 0.82 RARG (0.70) RARGRARBRARARXRAKDM4E
SCHEMBL11554361 0.81 RARG (0.66) RARGRARBRARARXRAKDM4E
SCHEMBL11554363 0.81 RARG (0.66) RARGRARBRARARXRAKDM4E
SCHEMBL9860398 0.80 RARG (0.70) RARGRARBRARARXRAKDM4E
SCHEMBL7548132 0.80 RARG (0.70) RARGRARBRARARXRAKDM4E
SCHEMBL7085911 0.79 RARG (0.57) RARGRARBRARARXRAKDM4E

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
EP-0002742-A1 Stilbene derivatives, their preparation and medicines containing these stilbene derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-07-11 EP claimed
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