SCHEMBL11113218

SCHEMBL11113218

COc1cccc2c1-c1ccccc1C(CCC(=O)O)O2

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.58
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 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
SCHEMBL11107772 0.90 NR3C1 (0.48) NR3C1PGRNR3C2ARKDM4E
SCHEMBL11104765 0.88 NR3C1 (0.61) NR3C1PGRNR3C2ARKDM4E
SCHEMBL11110310 0.86 NR3C1 (0.51) NR3C1PGRALDH1A1
SCHEMBL11112797 0.82 NR3C1 (0.57) NR3C1PGRNR3C2ARKDM4E
SCHEMBL7225385 0.80 NR3C1 (0.51) NR3C1PGRNR3C2AR
SCHEMBL11102826 0.80 HTT (0.47) ARKDM4EALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL11104817 0.80 NR3C1 (0.60) NR3C1PGRNR3C2ARKDM4E
SCHEMBL11109415 0.80 NR3C1 (0.54) NR3C1PGRNR3C2ARKDM4E
SCHEMBL11110128 0.79 KDM4E (0.41) NR3C1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL11105521 0.79 NR3C1 (0.53) NR3C1PGRKDM4ELMNA

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