SCHEMBL7790165

SCHEMBL7790165

COc1cc(OC(=O)O)ccc1-c1ccc(-c2ccccc2)c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 17/20 0.55
RARB P10826 11/20 0.55
RXRA P19793 3/20 0.55
RARA P10276 10/20 0.54
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP4B1 P13584 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP3A5 P20815 1/20 0.41
CYP2A7 P20853 1/20 0.41
CYP3A7 P24462 1/20 0.41
CYP2F1 P24903 1/20 0.41
CYP2C18 P33260 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7784310 0.89 RARG (0.51) RARGRARBRXRARARA
SCHEMBL2937025 0.88 RARG (0.58) RARGRARBRXRARARA
SCHEMBL7794287 0.88 RARB (0.60) RARGRARBRXRARARA
SCHEMBL7792837 0.88 RARB (0.60) RARGRARBRXRARARA
SCHEMBL7784309 0.88 RARB (0.60) RARGRARBRXRARARA
SCHEMBL7784321 0.87 RARG (0.50) RARGRARBRXRARARA
SCHEMBL5847397 0.86 RARG (0.69) RARGRARBRXRARARA
SCHEMBL7793751 0.84 RARG (0.58) RARGRARBRXRARARA
SCHEMBL5845788 0.84 RARG (0.60) RARGRARBRXRARARACYP3A4
SCHEMBL7790156 0.84 RARG (0.50) RARGRARBRXRARARA

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
EP-0952974-B1 BIPHENYL DERIVATIVES SUBSTITUTED BY AN AROMATIC OR HETEROAROMATIC RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2001-11-21 EP claimed