SCHEMBL4655882

SCHEMBL4655882

CC(C)NCCCCOc1ccc(-c2ccc(OC(=O)O)c(Cl)c2)cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARG P13631 16/20 0.56
RARB P10826 7/20 0.56
RARA P10276 6/20 0.56
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4655897 0.91 RARG (0.58) RARGRARBRARANPSR1ALDH1A1
SCHEMBL4654752 0.90 RARG (0.61) RARGRARBRARANPSR1ALDH1A1
SCHEMBL4653964 0.90 RARG (0.55) RARGRARBRARANPSR1ALDH1A1
SCHEMBL4653634 0.90 RARG (0.56) RARGRARBRARANPSR1ALDH1A1
SCHEMBL957262 0.90 RARG (0.66) RARGRARBRARANPSR1ALDH1A1
SCHEMBL4654642 0.89 RARG (0.55) RARGRARBRARANPSR1ALDH1A1
SCHEMBL4654669 0.87 RARG (0.55) RARGRARBRARANPSR1ALDH1A1
SCHEMBL4655852 0.86 RARG (0.54) RARGRARBRARANPSR1ALDH1A1
SCHEMBL955172 0.86 RARG (0.68) RARGRARBRARANPSR1
SCHEMBL4653486 0.86 RARG (0.54) RARGRARBRARANPSR1ALDH1A1

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-1692093-B1 BIPHENYL DERIVATIVES USEFUL AS LIGANDS THAT ACTIVATE THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2008-11-19 EP claimed