SCHEMBL11110004

SCHEMBL11110004

COc1cccc2c1-c1c(OC)cccc1C(O)O2

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.55
AR P10275 3/20 0.46
POLL Q9UGP5 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PGR P06401 3/20 0.39
NR3C2 P08235 2/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL11106540 0.87 NR3C1 (0.68) NR3C1ARPOLLKDM4EALDH1A1
SCHEMBL9140156 0.81 POLL (0.53) NR3C1ARPOLLKDM4EALDH1A1
SCHEMBL11108478 0.78 NR3C1 (0.53) NR3C1ARPOLLKDM4EALDH1A1
SCHEMBL11112667 0.77 NR3C1 (0.49) NR3C1ARPOLLKDM4EALDH1A1
SCHEMBL11107380 0.76 NR3C1 (0.48) NR3C1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11102203 0.76 NR3C1 (0.48) NR3C1ARPOLLKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11113390 0.75 NR3C1 (0.47) NR3C1ARKDM4EALDH1A1HPGD
SCHEMBL11101650 0.75 NR3C1 (0.50) NR3C1ARPOLLKDM4EALDH1A1
SCHEMBL11103784 0.75 HPGD (0.61) NR3C1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11104713 0.74 NR3C1 (0.46) NR3C1ARPOLLKDM4EALDH1A1

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