SCHEMBL8908993

SCHEMBL8908993

Cc1cc(C)c(-c2ncnc(-c3ccc(O)cc3O)n2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.38
ESR1 P03372 5/20 0.38
GAA P10253 4/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX12 P18054 1/20 0.35
MAPK10 P53779 1/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NFKB1 P19838 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL4435671 0.87 ESR2 (0.42) ESR2ESR1GAAMGAMSI
SCHEMBL2354543 0.86 ESR2 (0.42) ESR2ESR1GAAMGAMSI
SCHEMBL4438569 0.83 ESR1 (0.46) ESR2ESR1GAAMEN1KMT2A
SCHEMBL27366266 0.83 ALOX5 (0.37) ESR2ESR1GAAMGAMSI
SCHEMBL6482000 0.78 ESR2 (0.41) ESR2ESR1GAAMGAMSI
SCHEMBL9743456 0.76 ESR2 (0.46) ESR2ESR1GAAMGAMSI
SCHEMBL580855 0.76 ESR2 (0.47) ESR2ESR1GAAMGAMSI
SCHEMBL29350280 0.76 ESR2 (0.47) ESR2ESR1GAAMGAMSI
SCHEMBL39158 0.76 ESR2 (0.47) ESR2ESR1GAAMGAMSI
SCHEMBL21414949 0.76 ESR2 (0.47) ESR2ESR1MEN1KMT2AMAPT

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-5686233-A PHOTOGRAPHIC FILM STABILIZER CIBA-GEIGY CORPORATION (US) 1997-11-11 US disclosed