SCHEMBL28632157

SCHEMBL28632157

C=CC(=O)OCC(C)CC(CC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.51
HPGD P15428 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
FOLH1 Q04609 2/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MME P08473 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 2/20 0.30
CPA1 P15085 2/20 0.30
GRIK1 P39086 2/20 0.30
GRIK2 Q13002 2/20 0.30
CPB1 P15086 1/20 0.30
CPA3 P15088 1/20 0.30
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL28638680 0.85 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7761817 0.83 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL31059272 0.81 TSHR (0.69) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11746726 0.78 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3172857 0.78 TSHR (0.38) TSHRHPGDFOLH1MMECPA1
SCHEMBL8965855 0.77 TSHR (0.75) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28770363 0.77 FOLH1 (0.38) TSHRALDH1A1FOLH1MMECPA1
SCHEMBL11207078 0.76 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL22083641 0.75 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23494022 0.75 TSHR (0.60) 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