SCHEMBL7523530

SCHEMBL7523530

CCCCc1cc(Cl)cc(C(S)(S)CCC)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR2 P34972 1/20 0.35
PTGS2 P35354 3/20 0.33
CYP3A4 P08684 1/20 0.33
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
SCN5A Q14524 3/20 0.31
SCN9A Q15858 3/20 0.31
GPR84 Q9NQS5 1/20 0.30
SKP2 Q13309 1/20 0.30
CTRC Q99895 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
SCHEMBL22861012 0.80 NPC1 (0.40) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL320700 0.76 NPC1 (0.50) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL14402466 0.70 PTGS2 (0.56) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL16953618 0.70 HPGD (0.48) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL10441595 0.69 PTGS2 (0.57) PTGS2CYP3A4GPR84
SCHEMBL3787612 0.68 CYP3A4 (0.46) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL9343347 0.68 NPC1 (0.42) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL16953298 0.68 HPGD (0.47) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL18556911 0.68 NPC1 (0.42) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL9004710 0.66 HPGD (0.44) NPC1HPGDMAPK1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108431149-B Anti-biofouling coatings based on epoxy resins and amine functional polysiloxanes 陶氏环球技术有限责任公司 2020-11-20 CN disclosed
EP-0669949-B1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS COGNIS CORP (US) 2002-03-13 EP disclosed
EP-0669949-A4 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS. HENKEL CORP (US) 1996-07-10 EP disclosed
EP-0669949-A1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS HENKEL CORPORATION (US) 1995-09-06 EP disclosed
US-5444127-A Urea, thiourea, guanidine derivatives, curing agents for epoxy resins, odorless, low temperature HENKEL CORPORATION (US) 1995-08-22 US disclosed
WO-1994009051-A1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS HENKEL CORPORATION (US) 1994-04-28 WO disclosed
EP-0014745-B1 CURING AGENT FOR POLYEPOXIDES, CURABLE EPOXY RESIN COMPOSITIONS, HARDENED PRODUCTS THEREFROM AND PROCESS FOR CURING A POLYEPOXIDE DIAMOND SHAMROCK CORPORATION (US) 1983-05-25 EP disclosed
EP-0075827-A2 Polyepoxide curing by polymercaptans plus catalytic co-curing agents DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1983-04-06 EP disclosed
EP-0014745-A1 Curing agent for polyepoxides, curable epoxy resin compositions, hardened products therefrom and process for curing a polyepoxide DIAMOND SHAMROCK CORPORATION (US) 1980-09-03 EP disclosed
US-4177173-A INFUSIBLE FILMS, CASTINGS OR ADHESIVES DIAMOND SHAMROCK CORPORATION (US) 1979-12-04 US disclosed