SCHEMBL7528532

SCHEMBL7528532

CC(C)Cc1cccc(CCS)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
PNMT P11086 1/20 0.40
TAAR1 Q96RJ0 5/20 0.38
SLC6A2 P23975 2/20 0.38
MAOA P21397 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 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
SCHEMBL8539519 0.85 GABRA1 (0.50) GABRA1GABRB2PNMTTAAR1SLC6A2
SCHEMBL332301 0.82 MEN1 (0.48) TAAR1MAOAMEN1KMT2A
SCHEMBL16191047 0.82 MAOA (0.50) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL12152288 0.82 CTSS (0.48) GABRA1GABRB2PNMTTAAR1SLC6A2
SCHEMBL12152346 0.82 OPRM1 (0.45) GABRA1GABRB2PNMTTAAR1SLC6A2
SCHEMBL9338131 0.80 TDP1 (0.46) GABRA1GABRB2PNMTTAAR1OPRM1
SCHEMBL27209026 0.80 TDP1 (0.46) GABRA1GABRB2PNMTTAAR1SLC6A2
SCHEMBL9338122 0.80 GABRA1 (0.40) GABRA1GABRB2PNMTTAAR1SLC6A2
SCHEMBL9583996 0.80 TAAR1 (0.57) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL22508191 0.79 GABRA1 (0.42) GABRA1GABRB2PNMTTAAR1SLC6A2

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 12 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-3397706-A1 ANTI-BIOFOULING COATING BASED ON EPOXY RESIN AND AMINE-FUNCTIONAL POLYSILOXANE Dow Global Technologies LLC (US) 2018-11-07 EP disclosed
WO-2017113149-A1 ANTI-BIOFOULING COATING BASED ON EPOXY RESIN AND AMINE-FUNCTIONAL POLYSILOXANE DOW GLOBAL TECHNOLOGIES LLC (US) 2017-07-06 WO 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