SCHEMBL13626758

SCHEMBL13626758

COCc1c(C)cc(S)cc1C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL3807690 0.80 HPGD (0.44) HPGDHSD17B10KDM4EALDH1A1GAA
SCHEMBL893113 0.80 HPGD (0.44) HPGDHSD17B10KDM4EALDH1A1GAA
SCHEMBL14008505 0.78 HPGD (0.47) HPGDHSD17B10ALDH1A1ALOX15
SCHEMBL23638591 0.76 HPGD (0.42) HPGDHSD17B10KDM4EALDH1A1GAA
SCHEMBL11930746 0.76 HPGD (0.42) HPGDHSD17B10KDM4EALDH1A1GAA
SCHEMBL15216746 0.76 ALDH1A1 (0.46) HPGDHSD17B10ALDH1A1
SCHEMBL12895706 0.74 HPGD (0.41) HPGDHSD17B10KDM4E
SCHEMBL12013420 0.73 ADRA2A (0.41) HPGDHSD17B10
SCHEMBL11315118 0.70 HPGD (0.48) HPGDHSD17B10KDM4EALDH1A1GAA
SCHEMBL8750400 0.70 CYP1A2 (0.39) HPGDHSD17B10ALDH1A1GAA

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
WO-2009142967-A1 THERAPEUTIC PROSTAGLANDIN COMPOUNDS USED AS OCULAR HYPOTENSIVE AGENTS ALLERGAN, INC. (US) 2009-11-26 WO disclosed