SCHEMBL19253760

SCHEMBL19253760

C=CC(=O)OC(=O)C(=C)CO

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
ALDH1A1 P00352 5/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.33
ALOX15 P16050 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
SCHEMBL7750669 0.83 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8345796 0.82 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL244291 0.80 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5702719 0.80 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19244057 0.80 HSD17B10 (0.30) HSD17B10
SCHEMBL11357043 0.79 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7167538 0.78 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27427766 0.78 HSD17B10 (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5144521 0.77 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22829694 0.77 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240692-A1 MODIFIER FOR CURABLE COMPOSITIONS COMPRISING BENZYL ALCOHOL ALKOXYLATES EVONIK DEGUSSA GMBH (DE) 2017-08-24 US disclosed
CN-103189797-A Photosensitive resin composition, patterned structure, display device, and partition wall SUMITOMO CHEMICAL CO 2013-07-03 CN disclosed