SCHEMBL7478707

SCHEMBL7478707

CC(C)(C)c1cc(-c2ccccc2)cc(C(O)C#Cc2ccc(C(=O)O)cc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 5/20 0.42
RARB P10826 4/20 0.42
EGFR P00533 1/20 0.40
RXRA P19793 5/20 0.40
RXRB P28702 5/20 0.40
RXRG P48443 2/20 0.39
RARA P10276 3/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
MCL1 Q07820 1/20 0.36
PLEC Q15149 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL6341263 0.87 NPC1 (0.41) RARGRARBRARAGAAMAPT
SCHEMBL6343234 0.86 RARB (0.40) RARGRARBEGFRRXRARXRB
SCHEMBL7475818 0.85 RARB (0.51) RARGRARBRXRARXRBRXRG
SCHEMBL6344520 0.82 EGFR (0.43) RARGRARBEGFRRXRARXRB
SCHEMBL1406936 0.75 RARB (0.38) RARGRARBRXRARXRBRXRG
SCHEMBL6340093 0.75 NPC1 (0.40) RARGRARBRARAGAAMAPT
SCHEMBL1928589 0.73 RXRA (0.64) RARGRARBEGFRRXRARXRB
SCHEMBL6339210 0.73 RARB (0.52) RARGRARBRXRARARACYP3A4
SCHEMBL6338186 0.72 MAPT (0.38) RARGRARBEGFRRARAGAA
SCHEMBL6338786 0.71 RARG (0.48) RARGRARBRXRARXRBRXRG

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