SCHEMBL11110784

SCHEMBL11110784

CNCCCC1Oc2cccc(OC)c2-c2c(OC)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.47
PGR P06401 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 2/20 0.37
HTR2A P28223 2/20 0.37
HRH1 P35367 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
NFKB1 P19838 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 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
SCHEMBL11109415 0.89 NR3C1 (0.54) NR3C1PGRL3MBTL1KDM4EHSD17B10
SCHEMBL11107380 0.78 NR3C1 (0.48) NR3C1KDM4EHSD17B10HTR2ACYP2D6
SCHEMBL11107772 0.77 NR3C1 (0.48) NR3C1PGRKDM4EHSD17B10LMNA
Hydrochloric Acid SCHEMBL11113390 0.77 NR3C1 (0.47) NR3C1PGRKDM4EHSD17B10HTR2A
SCHEMBL11112142 0.74 NR3C1 (0.42) NR3C1PGRKDM4EHSD17B10ALDH1A1
SCHEMBL11105960 0.74 NR3C1 (0.39) NR3C1L3MBTL1KDM4EHSD17B10HTR2A
SCHEMBL11103784 0.74 HPGD (0.61) NR3C1KDM4EHSD17B10LMNAALDH1A1
SCHEMBL11109246 0.73 CES2 (0.44) NR3C1PGRL3MBTL1KDM4EHSD17B10
SCHEMBL11107791 0.73 NR3C1 (0.44) NR3C1PGRKDM4EHSD17B10HPGD
SCHEMBL11111130 0.72 KDM4E (0.49) NR3C1PGRL3MBTL1KDM4EHSD17B10

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