SCHEMBL7471200

SCHEMBL7471200

CSC1(SC)CCOc2c(CC#Cc3ccc(C(=O)O)cn3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.36
CYP3A4 P08684 1/20 0.36
GRM5 P41594 6/20 0.32
HCAR3 P49019 2/20 0.32
GCK P35557 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 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
SCHEMBL6339588 0.89 KMT2A (0.42) CYP3A4
SCHEMBL6340318 0.85 RARB (0.37) CYP26A1CYP3A4RXRARXRB
SCHEMBL6341158 0.77 RARB (0.35) CYP26A1CYP3A4
SCHEMBL6340991 0.77 RXRA (0.33) CYP26A1CYP3A4RXRARXRBRXRG
SCHEMBL6340699 0.76 ACACB (0.35) CYP3A4
SCHEMBL6341270 0.76 XDH (0.33)
SCHEMBL6342476 0.75
SCHEMBL6033277 0.74 HCAR3 (0.34) HCAR3GCKRXRARXRBRXRG
SCHEMBL6339233 0.73
SCHEMBL6340125 0.73 DEGS1 (0.34) CYP26A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977749-B1 BI-AROMATIC COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-03-13 EP claimed
EP-0977749-A1 BI-AROMATIC COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development (FR) 2000-02-09 EP claimed
WO-1998056783-A1 BI-AROMATIC COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 1998-12-17 WO claimed
EP-0977749-B1 BI-AROMATIC COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-03-13 EP disclosed
EP-0977749-A1 BI-AROMATIC COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development (FR) 2000-02-09 EP disclosed
WO-1998056783-A1 BI-AROMATIC COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 1998-12-17 WO disclosed