SCHEMBL996922

SCHEMBL996922

O=C(O)CSc1cc(SCC(=O)O)cc(SCC(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.65
ALDH1A1 P00352 1/20 0.56
APEX1 P27695 1/20 0.55
PHGDH O43175 1/20 0.50
GAA P10253 1/20 0.48
HSD17B10 Q99714 2/20 0.47
CTSB P07858 1/20 0.47
ELANE P08246 1/20 0.47
DUSP3 P51452 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CXCL12 P48061 1/20 0.44
CYP1A2 P05177 2/20 0.43
CDC25B P30305 1/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 1/20 0.43
HIF1A Q16665 1/20 0.43
BCAT2 O15382 1/20 0.41

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
SCHEMBL11887852 0.85 FFAR1 (0.75) FFAR1ALDH1A1APEX1PHGDHGAA
SCHEMBL7238156 0.84 FFAR1 (0.54) FFAR1ALDH1A1APEX1PHGDHGAA
SCHEMBL13958473 0.84 FFAR1 (0.54) FFAR1ALDH1A1APEX1PHGDHGAA
SCHEMBL6541048 0.80 FFAR1 (0.50) FFAR1ALDH1A1APEX1HSD17B10KMT2A
SCHEMBL74365 0.79 FFAR1 (1.00) FFAR1ALDH1A1APEX1GAAHSD17B10
SCHEMBL10404036 0.79 FFAR1 (0.65) FFAR1ALDH1A1APEX1PHGDHGAA
SCHEMBL15571433 0.77 FFAR1 (0.95) FFAR1ALDH1A1APEX1GAAHSD17B10
SCHEMBL15572345 0.77 FFAR1 (0.95) FFAR1ALDH1A1APEX1GAAHSD17B10
SCHEMBL15570635 0.77 FFAR1 (0.95) FFAR1ALDH1A1APEX1GAAHSD17B10
Ammonia Solution, Strong SCHEMBL6255246 0.77 FFAR1 (0.95) FFAR1ALDH1A1APEX1GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040947-B2 Primer composition MITSUI CHEMICALS, INC. (JP) 2018-08-07 US disclosed
EP-2258780-B1 PRIMER COMPOSITION MITSUI CHEMICALS INC (JP) 2012-09-26 EP disclosed
US-20110014483-A1 PRIMER COMPOSITION MITSUI CHEMICALS, INC. 2011-01-20 US disclosed
EP-2258780-A1 PRIMER COMPOSITION Mitsui Chemicals, Inc. (JP) 2010-12-08 EP disclosed