SCHEMBL614987

SCHEMBL614987

CCCCC(CC)CO[Si](C)(C)OCC(CC)CCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
CYP3A4 P08684 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TSHR P16473 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
CA2 P00918 3/20 0.41
RECQL P46063 1/20 0.39
LMNA P02545 2/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3317118 0.87 ALDH1A1 (0.53) ALDH1A1CYP3A4L3MBTL1TSHRTDP1
SCHEMBL614539 0.87 ALDH1A1 (0.53) ALDH1A1CYP3A4L3MBTL1TSHRTDP1
SCHEMBL295927 0.84 CYP3A4 (0.53) ALDH1A1CYP3A4L3MBTL1TSHRTDP1
SCHEMBL2231999 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4L3MBTL1TSHRTDP1
SCHEMBL10625138 0.82 ALDH1A1 (0.49) ALDH1A1CYP3A4L3MBTL1TSHRTDP1
SCHEMBL10387454 0.82 ALDH1A1 (0.49) ALDH1A1CYP3A4L3MBTL1TSHRTDP1
SCHEMBL9764748 0.81 ALDH1A1 (0.50) ALDH1A1CYP3A4L3MBTL1TSHRTDP1
SCHEMBL9557124 0.81 CYP3A4 (0.50) ALDH1A1CYP3A4L3MBTL1TSHRTDP1
SCHEMBL612324 0.81 ALDH1A1 (0.51) ALDH1A1CYP3A4L3MBTL1TSHRTDP1
SCHEMBL10761478 0.81 ALDH1A1 (0.50) ALDH1A1CYP3A4L3MBTL1TSHRTDP1

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
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-8299179-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
US-20120041136-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
US-4165310-A N-SULFENYL DERIVATIVES OF DI(CARBAMIC ACID ESTERS) USED AS PREMATURE VULCANIZING INHIBITORS MONSANTO COMPANY (US) 1979-08-21 US disclosed
EP-0001711-A1 Readily cleavable printing ink vehicle, method of making and printing ink containing the same NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1979-05-02 EP disclosed