SCHEMBL8766285

SCHEMBL8766285

COc1ccc(C(C)=Cc2ccc(C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 16/20 1.00
RARA P10276 15/20 1.00
RARB P10826 15/20 1.00
LMNA P02545 2/20 0.60
BLM P54132 2/20 0.60
MEN1 O00255 1/20 0.60
NR1I2 O75469 1/20 0.60
PGR P06401 1/20 0.60
HSPD1 P10809 1/20 0.60
GOT1 P17174 1/20 0.60
GLRA1 P23415 1/20 0.60
HSPE1 P61604 1/20 0.60
KMT2A Q03164 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HDAC11 Q96DB2 2/20 0.54
HDAC2 Q92769 1/20 0.54
IKBKB O14920 1/20 0.53
RXRA P19793 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53

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
SCHEMBL8765899 1.00 RARG (1.00) RARGRARARARBLMNABLM
SCHEMBL8766454 1.00 RARG (1.00) RARGRARARARBLMNABLM
SCHEMBL8437018 0.91 RARG (0.84) RARGRARARARBLMNABLM
SCHEMBL9079300 0.90 RARB (0.82) RARGRARARARBLMNABLM
SCHEMBL9079305 0.90 RARB (0.82) RARGRARARARBLMNABLM
SCHEMBL565789 0.86 RARA (0.77) RARGRARARARBLMNABLM
SCHEMBL1082340 0.86 RARA (0.77) RARGRARARARBLMNABLM
SCHEMBL6372909 0.85 RARB (1.00) RARGRARARARBLMNABLM
SCHEMBL6372911 0.85 RARB (1.00) RARGRARARARBLMNABLM
SCHEMBL20646222 0.85 RARG (0.79) RARGRARARARBLMNABLM

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-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
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