SCHEMBL610119

SCHEMBL610119

CCN(CC)COC(C)=S

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.62
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
ABCB11 O95342 1/20 0.31
CYP2E1 P05181 1/20 0.31
PTGS1 P23219 1/20 0.31
HTT P42858 1/20 0.31
GSDMD P57764 1/20 0.31
CA4 P22748 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31

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
SCHEMBL6115624 0.77 ALDH1A1 (1.00) ALDH1A1CYP2C9HPGDHSD17B10ABCB11
SCHEMBL17758507 0.75 ALDH1A1 (0.58) ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL609250 0.75 ALDH1A1 (0.41) ALDH1A1CYP2C9HPGDHSD17B10ABCB11
SCHEMBL610310 0.74 ALDH1A1 (0.50) ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL346186 0.73 ALDH1A1 (0.46) ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL610848 0.72
SCHEMBL611273 0.72 CHRM2 (0.40) ALDH1A1CYP2C9HPGDHSD17B10CA12
SCHEMBL619143 0.72 ALDH1A1 (0.34) ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL8775194 0.67 ALDH1A1 (0.42) ALDH1A1CYP2C9HPGDHSD17B10CA12
SCHEMBL875662 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
US-20150099823-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-04-09 US disclosed
EP-2857446-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2015-04-08 EP disclosed
US-8334339-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO., LTD. (JP) 2012-12-18 US disclosed
US-20120041134-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed