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SCHEMBL6424178

SCHEMBL6424178

CC(C)CNc1c(-c2ccccc2)cc(C(O)C#Cc2ccc(C(=O)OC(=O)c3ccc(C#CC(O)c4cc(-c5ccc(C(C)(C)C)cc5)c(NCCc5ccccc5)c(C(C)(C)C)c4)cc3)cc2)c(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MMP8 P22894 1/20 0.30

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
SCHEMBL6424179 0.95 NPC1 (0.33) NPC1RAB9AMMP8
SCHEMBL6419796 0.93 RAB9A (0.37) NPC1RAB9AMMP8
SCHEMBL6424171 0.83 PTGES (0.34) —
SCHEMBL1406443 0.83 RAB9A (0.41) NPC1RAB9A
SCHEMBL6424175 0.80 PTGES (0.32) —
SCHEMBL1406342 0.80 RARB (0.44) —
SCHEMBL1406969 0.78 MEN1 (0.38) NPC1RAB9A
SCHEMBL1406741 0.76 RARB (0.42) NPC1RAB9A
SCHEMBL1406664 0.76 RARB (0.42) NPC1RAB9A
SCHEMBL6419793 0.76 PTGES (0.32) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513793-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-03-16 — — EP disclosed
WO-2003101928-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 — — WO disclosed