SCHEMBL11106540

SCHEMBL11106540

COc1cccc2c1-c1ccccc1C(O)O2

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 13/20 0.68
AR P10275 2/20 0.47
PGR P06401 1/20 0.46
NR3C2 P08235 1/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP19A1 P11511 1/20 0.43
PDK2 Q15119 1/20 0.42
POLL Q9UGP5 1/20 0.42

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
SCHEMBL11110004 0.87 NR3C1 (0.55) NR3C1ARPGRNR3C2KDM4E
SCHEMBL29272811 0.80 NR3C1 (0.46) NR3C1ARPGRNR3C2KDM4E
SCHEMBL11100793 0.80 NR3C1 (0.61) NR3C1ARPGRNR3C2KDM4E
SCHEMBL11107057 0.80 NR3C1 (0.65) NR3C1ARPGRNR3C2KDM4E
Hydrochloric Acid SCHEMBL11104817 0.79 NR3C1 (0.60) NR3C1ARPGRNR3C2KDM4E
SCHEMBL11107506 0.79 NR3C1 (0.60) NR3C1ARPGRNR3C2KDM4E
SCHEMBL11111417 0.76 NR3C1 (0.61) NR3C1ARPGRNR3C2KDM4E
SCHEMBL11104765 0.76 NR3C1 (0.61) NR3C1ARPGRNR3C2KDM4E
SCHEMBL9140156 0.76 POLL (0.53) NR3C1ARKDM4ELMNAALDH1A1
SCHEMBL11106771 0.76 NR3C1 (0.56) NR3C1ARPGRNR3C2KDM4E

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-4463001-A ANTIULCER AGENTS FARMITALIA CARLO ERBA S.P.A. (IT) 1984-07-31 US disclosed