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SCHEMBL6419217

SCHEMBL6419217

CN1CCN(c2cc(C(=O)C=Cc3ccc(C(=O)OC(=O)c4ccc(C=CC(OC(=O)c5ccc(C#CC(OC(=O)c6ccc(C=CC(O)c7cc(N8CCN(C)CC8)c(OCc8ccccc8)c(C(C)(C)C)c7)cc6O)c6cc(N7CCN(C)CC7)c(OCc7ccccc7)c(C(C)(C)C)c6)cc5)c5cc(N6CCN(C)CC6)c(OCc6ccccc6)c(C(C)(C)C)c5)cc4)cc3)cc(C(C)(C)C)c2OCc2ccccc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.32
▸ TNFRSF1A P19438 2/20 0.30
▸ ABCG2 Q9UNQ0 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
SCHEMBL6419213 0.94 APP (0.31) APP
SCHEMBL6419661 0.81 APP (0.37) APPTNFRSF1AABCG2
SCHEMBL6419668 0.78 APP (0.35) APPTNFRSF1A
SCHEMBL6419665 0.78 APP (0.35) APPTNFRSF1A
SCHEMBL1406677 0.78 ALDH1A1 (0.36) APP
SCHEMBL1406679 0.78 ALDH1A1 (0.36) APP
SCHEMBL6424544 0.77 MEN1 (0.33) —
SCHEMBL1406397 0.77 TNFRSF1A (0.43) APPTNFRSF1AABCG2
SCHEMBL1406860 0.77 TNFRSF1A (0.43) APPTNFRSF1AABCG2
SCHEMBL1406642 0.75 MAPK1 (0.41) —

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 claimed
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 claimed