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Sugi Predict / Compounds / SCHEMBL6424149

SCHEMBL6424149

SCHEMBL6424149

CC1(C)CCC(C)(C)c2c(N3CCN(CCC(=O)O)CC3)cc(C(=O)/C=C/c3ccc(C(=O)O)c(O)c3)cc21.CC1(C)CCC(C)(C)c2c(N3CCN(CCC(=O)O)CC3)cc(C(O)/C=C/c3ccc(C(=O)O)c(O)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 1/20 0.40
▸ RARB P10826 1/20 0.40
▸ RARG P13631 1/20 0.40
▸ S1PR5 Q9H228 2/20 0.32
▸ DHODH Q02127 1/20 0.30
▸ MAOB P27338 3/20 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
SCHEMBL1406652 0.94 RARA (0.42) RARARARBRARGS1PR5
SCHEMBL1406651 0.94 RARA (0.42) RARARARBRARGS1PR5
SCHEMBL6424158 0.93 RARA (0.36) RARARARBRARG
SCHEMBL1406431 0.92 MAOB (0.35) RARARARBRARGS1PR5DHODH
SCHEMBL1406432 0.92 MAOB (0.35) RARARARBRARGS1PR5DHODH
SCHEMBL6438580 0.87 RARA (0.38) RARARARBRARG
SCHEMBL1406659 0.84 RARB (0.56) RARARARBRARGS1PR5
SCHEMBL1406662 0.84 RARB (0.56) RARARARBRARGS1PR5
SCHEMBL1406891 0.84 RARB (0.46) RARARARBRARG
SCHEMBL1406892 0.84 RARB (0.46) RARARARBRARG

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