SCHEMBL382741

SCHEMBL382741

COC(=O)c1ccc(-c2ccc(OCCCCO)c(-c3ccc(N4CCCC4)c(C(C)(C)C)c3)c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARG P13631 17/20 0.83
RARB P10826 16/20 0.83
RARA P10276 15/20 0.83
EGFR P00533 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38

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
SCHEMBL382609 0.95 RARG (0.82) RARGRARBRARAEGFRKDM4E
SCHEMBL382160 0.91 RARG (0.81) RARGRARBRARA
SCHEMBL382479 0.91 RARG (1.00) RARGRARBRARA
SCHEMBL381872 0.89 RARG (0.80) RARGRARBRARA
SCHEMBL382843 0.88 RARG (1.00) RARGRARBRARA
SCHEMBL381961 0.86 RARG (0.80) RARGRARBRARA
Trifarotene SCHEMBL381493 0.86 RARG (1.00) RARGRARBRARA
SCHEMBL27337609 0.86 RARG (0.85) RARGRARBRARA
SCHEMBL382599 0.86 RARG (0.78) RARGRARBRARA
SCHEMBL382355 0.86 RARG (0.80) RARGRARBRARA

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-1831149-B1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2012-01-25 EP disclosed