SCHEMBL11101650

SCHEMBL11101650

COc1cccc2c1-c1c(OC)cccc1C(C(O)C(=O)O)O2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.50
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
AR P10275 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
POLL Q9UGP5 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL11111417 0.90 NR3C1 (0.61) NR3C1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL11104713 0.80 NR3C1 (0.46) NR3C1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL11108478 0.79 NR3C1 (0.53) NR3C1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL11112808 0.77 NR3C1 (0.58) NR3C1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL11103784 0.76 HPGD (0.61) NR3C1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL11109250 0.75 NR3C1 (0.42) NR3C1PGRNR3C2AR
SCHEMBL11110004 0.75 NR3C1 (0.55) NR3C1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL11112667 0.75 NR3C1 (0.49) NR3C1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL11112144 0.75 NR3C1 (0.43) NR3C1KDM4EHPGDALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL11108984 0.74 NR3C1 (0.41) NR3C1PGRNR3C2AR

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