SCHEMBL1129871

SCHEMBL1129871

O=C(O)C(S)CCc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
ERAP2 Q6P179 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ANPEP P15144 2/20 0.44
LMNA P02545 1/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
FOLH1 Q04609 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPY5R Q15761 1/20 0.40
FFAR1 O14842 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL11108501 0.82 ACE (0.55) ERAP2ERAP1ANPEPMMEACE
SCHEMBL27496396 0.82 MMP12 (0.51) MMP12MMP13ERAP2ERAP1ANPEP
SCHEMBL2789312 0.80 ERAP1 (0.46) MMP12MMP13ERAP2ERAP1ANPEP
SCHEMBL2789314 0.80 ERAP1 (0.46) MMP12MMP13ERAP2ERAP1ANPEP
Hydrochloric Acid SCHEMBL7204871 0.79 ERAP2 (0.51) MMP12MMP13ERAP2ERAP1ANPEP
Hydrochloric Acid SCHEMBL27556867 0.79 ERAP2 (0.51) MMP12MMP13ERAP2ERAP1ANPEP
SCHEMBL1457765 0.78 GRM8 (0.51) MMP12MMP13ERAP2ERAP1ANPEP
SCHEMBL2353606 0.78 GRM8 (0.51) MMP12MMP13ERAP2ERAP1ANPEP
SCHEMBL2353607 0.78 GRM8 (0.51) MMP12MMP13ERAP2ERAP1ANPEP
SCHEMBL27758940 0.78 MMP12 (0.47) MMP12MMP13ERAP2ERAP1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190077894-A1 PROCESS FOR PREPARING CATALYSTS LANXESS DEUTSCHLAND GMBH (DE) 2019-03-14 US disclosed
CN-105289728-A METHOD FOR THE PRODUCTION OF CATALYSTS LANXESS DEUTSCHLAND GMBH 2016-02-03 CN disclosed
US-20150353660-A1 PROCESS FOR PREPARING CATALYSTS LANXESS DEUTSCHLAND GMBH (DE) 2015-12-10 US disclosed
US-8932976-B2 Preparation of catalyst for bisphenols production DOW GLOBAL TECHNOLOGIES LLC (US) 2015-01-13 US disclosed
EP-2158040-B1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES INC (US) 2011-02-16 EP disclosed
US-20100152028-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES LLC 2010-06-17 US disclosed
EP-2158040-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION Dow Global Technologies Inc. (US) 2010-03-03 EP disclosed
WO-2008157025-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES INC. (US) 2008-12-24 WO disclosed
US-6534686-B1 Reacting aromatic hydroxy compound with carbonyl containing compound in presence of catalyst composition comprising polymeric resin component comprising protic acid functionality and sulfur-protected mercaptan promoter component GENERAL ELECTRIC COMPANY 2003-03-18 US disclosed