SCHEMBL17797889

SCHEMBL17797889

Cc1ccccc1C(=O)OCC(C)OC(=O)c1ccccc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
TSHR P16473 2/20 0.62
ADRB2 P07550 3/20 0.59
ADRB1 P08588 3/20 0.59
ADRB3 P13945 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
UTS2R Q9UKP6 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA2 P00918 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL16048344 0.94 ALDH1A1 (0.55) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL29674421 0.94 ALDH1A1 (0.55) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL17797803 0.94 ALDH1A1 (0.55) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL17797818 0.94 ALDH1A1 (0.55) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL6057357 0.88 ALDH1A1 (0.79) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL14947116 0.88 ADRB2 (0.49) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL13289952 0.86 SMN1; SMN2 (0.49) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL14690195 0.85 SMN1; SMN2 (0.59) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL2408720 0.85 SMN1; SMN2 (0.59) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL12083362 0.84 ALDH1A1 (0.62) ALDH1A1TSHRADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230376-A1 POLY(VINYL ACETAL) RESIN COMPOSITIONS, LAYERS, AND INTERLAYERS HAVING ENHANCED OPTICAL PROPERTIES Solutia Inc. (US) 2017-10-18 EP claimed
WO-2016094203-A1 POLY(VINYL ACETAL) RESIN COMPOSITIONS, LAYERS, AND INTERLAYERS HAVING ENHANCED OPTICAL PROPERTIES SOLUTIA INC. (US) 2016-06-16 WO claimed
EP-3230376-A1 POLY(VINYL ACETAL) RESIN COMPOSITIONS, LAYERS, AND INTERLAYERS HAVING ENHANCED OPTICAL PROPERTIES Solutia Inc. (US) 2017-10-18 EP disclosed
WO-2016094203-A1 POLY(VINYL ACETAL) RESIN COMPOSITIONS, LAYERS, AND INTERLAYERS HAVING ENHANCED OPTICAL PROPERTIES SOLUTIA INC. (US) 2016-06-16 WO disclosed
US-20160159051-A1 POLY(VINYL ACETAL) RESIN COMPOSITIONS, LAYERS, AND INTERLAYERS HAVING ENHANCED OPTICAL PROPERTIES SOLUTIA INC. (US) 2016-06-09 US disclosed