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SCHEMBL6421406

SCHEMBL6421406

CC(C(=O)O)N1CCN(c2cc(C(O)/C=C/c3ccc(C(=O)O)cc3)cc3c2C(C)(C)CCC3(C)C)CC1.CC(C)N1CCN(c2cc(C(O)C#Cc3ccc(C(=O)O)c(O)c3)cc3c2C(C)(C)CCC3(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 9/20 0.43
▸ RARG P13631 9/20 0.43
▸ RARA P10276 8/20 0.43
▸ CYP26A1 O43174 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CRABP2 P29373 1/20 0.32
▸ RXRA P19793 4/20 0.31
▸ RXRB P28702 2/20 0.30
▸ RXRG P48443 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
SCHEMBL6421410 0.91 RARB (0.40) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1406466 0.88 RARA (0.35) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1406906 0.87 RARB (0.38) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6439846 0.87 RARA (0.34) RARBRARGRARA
SCHEMBL1406649 0.85 RARB (0.44) RARBRARGRARARXRARXRB
SCHEMBL1406658 0.85 RARB (0.58) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1406890 0.84 RARB (0.45) RARBRARGRARARXRARXRB
SCHEMBL1406893 0.84 RARB (0.45) RARBRARGRARARXRARXRB
SCHEMBL1406873 0.84 RARB (0.45) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1406695 0.84 RARB (0.60) RARBRARGRARACYP26A1CYP3A4

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