Thiobenzoic Acid

Thiobenzoic Acid

SCHEMBL3384645

COC(=O)C(C)(C)OC(=S)c1ccccc1.OC(=S)c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.46
EPHX1 P07099 2/20 0.43
ELANE P08246 1/20 0.42
KCNN4 O15554 1/20 0.42
TSHR P16473 2/20 0.42
PRSS1 P07477 2/20 0.41
CTSG P08311 2/20 0.41
CTRB1 P17538 2/20 0.41
CMA1 P23946 2/20 0.41
ALDH1A1 P00352 6/20 0.40
LMNA P02545 2/20 0.40
ALOX12 P18054 2/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 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
Thiobenzoic Acid SCHEMBL164404 0.84 POLB (0.44) TSHRPRSS1CTSGCTRB1CMA1
Thiobenzoic Acid SCHEMBL2320796 0.79 HPGD (0.47) SRCTSHRALDH1A1NPC1MAPK1
Thiobenzoic Acid SCHEMBL236902 0.78 ALDH1A1 (0.40) EPHX1ELANETSHRALDH1A1NPC1
Thiobenzoic Acid SCHEMBL28774864 0.78 ALDH1A1 (0.40) EPHX1ELANETSHRALDH1A1NPC1
Thiobenzoic Acid SCHEMBL10902274 0.76 HPGD (0.44) SRCTSHRALDH1A1NPC1MAPK1
Thiobenzoic Acid SCHEMBL164093 0.73 ALDH1A1 (0.47) EPHX1KCNN4TSHRALDH1A1MAPK1
SCHEMBL812710 0.73 TSHR (0.52) SRCTSHRALDH1A1NPC1MAPK1
Thiobenzoic Acid SCHEMBL15388584 0.72 ALDH1A1 (0.46) EPHX1KCNN4TSHRALDH1A1MAPK1
SCHEMBL28458639 0.72 ALDH1A1 (0.44) EPHX1ELANETSHRALDH1A1NPC1
Thiobenzoic Acid SCHEMBL9789964 0.71 ESR1 (0.44) TSHRALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279074-A1 PROCESS FOR PREPARING A POLYMERIC RELIEF STRUCTURE STICHTING DUTCH POLYMER INSTITUTE (NL) 2010-11-04 US disclosed
EP-2156247-B1 PROCESS FOR PREPARING A POLYMERIC RELIEF STRUCTURE STICHTING DUTCH POLYMER INST (NL) 2010-11-03 EP disclosed
EP-2156247-A1 PROCESS FOR PREPARING A POLYMERIC RELIEF STRUCTURE Stichting Dutch Polymer Institute (NL) 2010-02-24 EP disclosed
EP-2019336-A1 Process for preparing a polymeric relief structure Stichting Dutch Polymer Institute (NL) 2009-01-28 EP disclosed
WO-2008151915-A1 PROCESS FOR PREPARING A POLYMERIC RELIEF STRUCTURE STICHTING DUTCH POLYMER INSTITUTE (NL) 2008-12-18 WO disclosed