SCHEMBL7524528

SCHEMBL7524528

COc1ccc(OC)c(CCS)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.68
TAAR1 Q96RJ0 1/20 0.68
AOC3 Q16853 1/20 0.60
IDO1 P14902 2/20 0.58
HTR2A P28223 2/20 0.54
HSD17B10 Q99714 1/20 0.54
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
DHFR P00374 1/20 0.49
HTR2C P28335 1/20 0.49

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
SCHEMBL5971447 0.85 APLNR (0.59) ADRA1ATAAR1IDO1HTR2ACA12
SCHEMBL4580173 0.84 IDO1 (0.61) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL5154843 0.82 ADRA1A (0.70) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL23980609 0.82 ADRA1A (0.47) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL7060410 0.81 ADRA1A (0.68) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL479514 0.81 TAAR1 (1.00) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL1145887 0.81 ADRA1A (0.68) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL25308876 0.81 ADRA1A (0.68) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL8867858 0.81 ADRA1A (0.68) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL29491077 0.81 TAAR1 (1.00) ADRA1ATAAR1AOC3IDO1HTR2A

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 7 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
US-5444127-A Urea, thiourea, guanidine derivatives, curing agents for epoxy resins, odorless, low temperature HENKEL CORPORATION (US) 1995-08-22 US 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