SCHEMBL8765832

SCHEMBL8765832

CC(=O)OC1C2CC3CC(C2)CC1(OC(C)=O)C3

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.35
TSHR P16473 1/20 0.33
GLA P06280 1/20 0.32
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
EPHX2 P34913 2/20 0.31
CHRM2 P08172 2/20 0.30
CHRM4 P08173 2/20 0.30
CHRM5 P08912 2/20 0.30
CHRM1 P11229 2/20 0.30
CHRM3 P20309 2/20 0.30
ALDH1A1 P00352 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
SCHEMBL9229194 0.83
SCHEMBL2812415 0.80 NAAA (0.35) EPHX1GLASCN1ASCN2ASCN3A
SCHEMBL9226932 0.78 PKM (0.31)
SCHEMBL7711858 0.76 ALDH1A1 (0.34) SCN1ASCN2ASCN3AEPHX2ALDH1A1
SCHEMBL8869707 0.75
SCHEMBL14054470 0.73 EPHX1 (0.30) EPHX1
SCHEMBL14054283 0.73 EPHX1 (0.30) EPHX1
SCHEMBL27240 0.70 NPSR1 (0.45) EPHX1GLASCN1ASCN2ASCN3A
SCHEMBL27814098 0.69 NPSR1 (0.43) EPHX1GLASCN1ASCN2ASCN3A
SCHEMBL1643364 0.67

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 3 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 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