SCHEMBL28638680

SCHEMBL28638680

C=CC(=O)OCCC(C)CC(CC(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TP53 P04637 3/20 0.40
HIF1A Q16665 3/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 1/20 0.40
FOLH1 Q04609 2/20 0.36
THRB P10828 2/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.33
MME P08473 2/20 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
SCHEMBL19483147 0.87 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28632157 0.85 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
Methyl Alcohol SCHEMBL27994591 0.84 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL33753 0.84 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Bromide SCHEMBL29948278 0.83 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23493924 0.79 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL25323214 0.79 FOLH1 (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9103359 0.79 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL19133682 0.78 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29448443 0.77 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A

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
CN-107652222-B Oxime ester photoinitiators 巴斯夫欧洲公司 2021-09-10 CN disclosed