SCHEMBL19954384

SCHEMBL19954384

C=C(OC(C)(C)C)SCC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
DGAT1 O75907 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 3/20 0.34
CTSL P07711 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
GAA P10253 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
SCHEMBL17773453 0.77 POLB (0.38) HTTCA2CA12CA14DGAT1
SCHEMBL21016544 0.74 TSHR (0.38) CYP2C9TSHRALDH1A1SMN1; SMN2GAA
SCHEMBL1845681 0.74 HTT (0.41) HTTCA2CA12CA14DGAT1
SCHEMBL29191906 0.73 HTT (0.35) HTTCA2CA12CA14DGAT1
SCHEMBL8307607 0.71 TSHR (0.40) CYP1A2CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL7078250 0.71 ALDH1A1 (0.42) TSHRALDH1A1SMN1; SMN2GAAHSD17B10
SCHEMBL21797980 0.69 DGAT1 (0.45) HTTCA2CA12CA14DGAT1
SCHEMBL10274076 0.69 CA12 (0.45) HTTCA2CA12CA14DGAT1
SCHEMBL1262126 0.69 CYP2D6 (0.43) HTTCA2CA12CA14DGAT1
SCHEMBL7223189 0.68 CA2 (0.40) CA2CA12CA14DGAT1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914825-B2 Modified heterophasic polyolefin composition MILLIKEN & COMPANY (US) 2018-03-13 US disclosed