SCHEMBL8765882

SCHEMBL8765882

COc1ccc(/C(C)=C/c2ccc(CCC(=O)O)cc2)cc1C(C)(C)C

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.73
RARB P10826 5/20 0.73
RARG P13631 5/20 0.73
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
KDM1A O60341 1/20 0.42
NQO2 P16083 3/20 0.41
PTGS1 P23219 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
NR1H4 Q96RI1 4/20 0.40
EPHX2 P34913 2/20 0.40
TUBB1 Q9H4B7 1/20 0.39
CYP24A1 Q07973 1/20 0.39

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
SCHEMBL8765888 1.00 RARA (0.73) RARARARBRARGFFAR1FFAR4
SCHEMBL6372828 0.85 RARG (1.00) RARARARBRARGNQO2PTGS1
SCHEMBL8766137 0.85 RARA (0.73) RARARARBRARGNQO2PTGS1
SCHEMBL8766130 0.85 RARA (0.73) RARARARBRARGNQO2PTGS1
SCHEMBL8766433 0.85 RARG (1.00) RARARARBRARGNQO2PTGS1
SCHEMBL6372834 0.85 RARG (1.00) RARARARBRARGNQO2PTGS1
SCHEMBL7792665 0.80 FFAR1 (0.51) RARARARBRARGFFAR1FFAR4
SCHEMBL9076395 0.80 RARB (0.72) RARARARBRARGNQO2PTGS1
SCHEMBL8767296 0.80 RARB (0.72) RARARARBRARGNQO2PTGS1
SCHEMBL8766441 0.80 RARB (0.72) RARARARBRARGNQO2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584191-B1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS CIRD GALDERMA (FR) 1997-08-13 EP claimed
EP-0584191-A1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDECINE AND IN COSMETICS. CIRD GALDERMA (FR) 1994-03-02 EP claimed
WO-1992019583-A1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDECINE AND IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-11-12 WO claimed
EP-0584191-B1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS CIRD GALDERMA (FR) 1997-08-13 EP disclosed
US-5547983-A Aromatic and polycyclic compounds and their use in human or veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1996-08-20 US disclosed
EP-0584191-A1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDECINE AND IN COSMETICS. CIRD GALDERMA (FR) 1994-03-02 EP disclosed
WO-1992019583-A1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDECINE AND IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-11-12 WO disclosed