SCHEMBL20917367

SCHEMBL20917367

CC(C)(C)OOC(=O)c1ccccc1.CC(C)OC(=O)OOOC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
ALDH1A1 P00352 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
HSD17B10 Q99714 1/20 0.67
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
LMNA P02545 2/20 0.43
F2 P00734 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 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
SCHEMBL9762973 0.92 TSHR (0.56) TSHRALDH1A1TDP1HSD17B10PDCD1
SCHEMBL13268393 0.84 LMNA (0.53) TSHRALDH1A1TDP1HSD17B10PDCD1
Isopropylbenzene SCHEMBL25311758 0.83 ALDH1A1 (0.41) TSHRALDH1A1TDP1HSD17B10PDCD1
Isopropylbenzene SCHEMBL2319730 0.83 ALDH1A1 (0.41) TSHRALDH1A1TDP1HSD17B10PDCD1
SCHEMBL31229838 0.83 TDP1 (0.71) TSHRALDH1A1TDP1HSD17B10PDCD1
SCHEMBL27467971 0.82 TSHR (0.56) TSHRALDH1A1TDP1HSD17B10PDCD1
Isopropyl Alcohol SCHEMBL28991515 0.82 TDP1 (0.86) TSHRALDH1A1TDP1HSD17B10PDCD1
SCHEMBL28697 0.82 TDP1 (0.79) TSHRALDH1A1TDP1HSD17B10LMNA
Benzene SCHEMBL9464161 0.82 TSHR (1.00) TSHRALDH1A1TDP1HSD17B10LMNA
SCHEMBL22820 0.82 TSHR (1.00) TSHRALDH1A1TDP1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019077227-A1 VINYL ESTER OLIGOCARBONATES, METHOD FOR MANUFACTURING SAME AND USES THEREOF ROQUETTE FRERES (FR) 2019-04-25 WO disclosed
CN-103380177-B Crosslinkable resin molded body, crosslinked resin molded body, and laminate 日本瑞翁株式会社 2017-04-26 CN disclosed
CN-100564442-C Opaque coloured infrared reflective plastic composition ROEHM GMBH (DE) 2009-12-02 CN disclosed
CN-101040000-A Opaque-colored infrared-reflective plastic molding compositions ROEHM GMBH (DE) 2007-09-19 CN disclosed