SCHEMBL8911212

SCHEMBL8911212

COc1cc(-c2ccc3ccc(C45CC6CC(CC(C6)C4)C5)cc3c2)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.55
RARG P13631 7/20 0.55
KMT2A Q03164 5/20 0.55
RARA P10276 5/20 0.55
MEN1 O00255 4/20 0.55
NR1I2 O75469 1/20 0.55
LMNA P02545 1/20 0.55
PGR P06401 1/20 0.55
HSPD1 P10809 1/20 0.55
GOT1 P17174 1/20 0.55
GLRA1 P23415 1/20 0.55
BLM P54132 1/20 0.55
HSPE1 P61604 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
RECQL P46063 2/20 0.45
THRB P10828 1/20 0.45
NR2E1 Q9Y466 1/20 0.45
GPR55 Q9Y2T6 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL8909360 0.83 MEN1 (0.54) RARBRARGKMT2ARARAMEN1
SCHEMBL1082729 0.79 KMT2A (0.61) RARBRARGKMT2ARARAMEN1
SCHEMBL3715625 0.79 KMT2A (0.61) RARBRARGKMT2ARARAMEN1
Hydrochloric Acid SCHEMBL8460452 0.77 RARB (0.48) RARBRARGKMT2ARARAMEN1
SCHEMBL21194961 0.76 GPR35 (0.43) RARBRARGKMT2ARARAMEN1
SCHEMBL9300824 0.76 RARB (0.71) RARBRARGKMT2ARARAMEN1
SCHEMBL9534725 0.75 KDM4E (0.66) RARBRARGKMT2ARARAMEN1
SCHEMBL8459709 0.74 RARB (0.41) RARBRARGKMT2ARARAMEN1
SCHEMBL980532 0.74 RARB (0.69) RARBRARGKMT2ARARAMEN1
SCHEMBL2770512 0.74 ALDH1A1 (0.67) TDP1RECQLALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686586-A Polycyclic aromatic derivatives, process for preparing the same and pharmaceutical and cosmetic compositions containing the same CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1997-11-11 US disclosed