SCHEMBL9602823

SCHEMBL9602823

C=CC(=O)OCC(Cl)CO

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.55
ALDH1A1 P00352 4/20 0.44
TP53 P04637 4/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.39
THRB P10828 2/20 0.33
TDP1 Q9NUW8 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
SCHEMBL1293183 0.83 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1170750 0.82 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28399730 0.80
SCHEMBL11805799 0.80 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28005755 0.80 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14463069 0.78 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL17335735 0.78
SCHEMBL6230188 0.78 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6758124 0.78
SCHEMBL115220 0.77 TSHR (0.57) 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-5183539-A METHOD OF PURIFYING CRUDE GLYCIDYL (METH)ACRYLATE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-02-02 US claimed
US-4275138-A Photosensitive diazonium compound containing composition and article with β-hydroxyalkyl acrylate or methacrylate FUJI PHOTO FILM CO., LTD. (JP) 1981-06-23 US disclosed