SCHEMBL11112142

SCHEMBL11112142

COc1cccc2c1-c1c(OC)cccc1C(CNC#N)O2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.42
PGR P06401 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AR P10275 1/20 0.35

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
SCHEMBL11108975 0.89 NR3C1 (0.54) NR3C1PGRAR
SCHEMBL11107380 0.78 NR3C1 (0.48) NR3C1KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL11113390 0.77 NR3C1 (0.47) NR3C1PGRKDM4EALDH1A1HPGD
SCHEMBL11102203 0.75 NR3C1 (0.48) NR3C1PGRKDM4EALDH1A1HPGD
SCHEMBL11110784 0.74 NR3C1 (0.47) NR3C1PGRKDM4EALDH1A1HPGD
SCHEMBL11112152 0.74 KDM4E (0.38) NR3C1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11103784 0.74 HPGD (0.61) NR3C1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11107772 0.72 NR3C1 (0.48) NR3C1PGRKDM4EALDH1A1HPGD
SCHEMBL11107791 0.71 NR3C1 (0.44) NR3C1PGRKDM4EHPGDHSD17B10
SCHEMBL11110004 0.70 NR3C1 (0.55) NR3C1PGRKDM4EALDH1A1HPGD

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