SCHEMBL8766629

SCHEMBL8766629

O=C(OCc1ccccc1)c1ccc(-c2c(C(=O)O)ccc3ccccc23)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.42
RARG P13631 7/20 0.42
ALDH1A1 P00352 2/20 0.41
WDR5 P61964 1/20 0.41
RARA P10276 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
PGR P06401 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
SCHEMBL9317943 0.87 WDR5 (0.51) RARBRARGALDH1A1WDR5RARA
SCHEMBL9318192 0.86 MEN1 (0.46) RARBRARGALDH1A1WDR5RARA
SCHEMBL8767040 0.83 RARB (0.44) RARBRARGALDH1A1RARAMEN1
SCHEMBL8766427 0.83 RARG (0.61) RARBRARGALDH1A1RARAMEN1
SCHEMBL7744702 0.82 RARB (0.58) RARBRARGALDH1A1WDR5RARA
SCHEMBL4747624 0.81 RARB (0.61) RARBRARGALDH1A1WDR5RARA
SCHEMBL8459789 0.79 MEN1 (0.45) RARBRARGALDH1A1RARAMEN1
SCHEMBL8322288 0.79 RARB (0.49) RARBRARGALDH1A1WDR5RARA
SCHEMBL9318235 0.79 RARB (0.48) RARBRARGALDH1A1WDR5RARA
SCHEMBL8766169 0.79 RARB (0.54) RARBRARGALDH1A1RARAMEN1

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 2 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