SCHEMBL8530599

SCHEMBL8530599

CCCCc1ccc(CN(CCCc2cccc(CC(=O)O)c2)S(C)(=O)=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CNR2 P34972 1/20 0.48
TLR7 Q9NYK1 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL4947264 0.93 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10CNR2CA12
SCHEMBL5725083 0.92 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10CNR2CA12
SCHEMBL5725098 0.92 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10CNR2CA12
SCHEMBL5724723 0.89 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10CNR2CA12
SCHEMBL5726660 0.87 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10CNR2CA12
SCHEMBL5725270 0.86 CA12 (0.48) TLR7CA12CA1CA2CA4
SCHEMBL5726215 0.85 CA12 (0.50) ALDH1A1HPGDHSD17B10CNR2CA12
SCHEMBL5725967 0.84 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10CNR2CA12
SCHEMBL5727158 0.84 TAS2R14 (0.46) TLR7CA12CA1CA2CA4
SCHEMBL5725536 0.84 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10CNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 EP disclosed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 WO disclosed