SCHEMBL28636721

SCHEMBL28636721

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.51
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 2/20 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
SCHEMBL28632247 0.85 TSHR (0.41) TSHRKDM4EHPGDALDH1A1TP53
SCHEMBL3179521 0.78 TSHR (0.38) TSHRKDM4EHPGD
SCHEMBL3179507 0.78 TSHR (0.38) TSHRKDM4EHPGD
SCHEMBL8965855 0.77 TSHR (0.75) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28770365 0.77 TSHR (0.39) TSHRKDM4EALDH1A1
SCHEMBL23501525 0.76 TSHR (0.67) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL31059272 0.74 TSHR (0.69) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6678990 0.74 TSHR (0.69) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28029412 0.73 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28918901 0.73 TSHR (0.36) TSHRKDM4EALDH1A1

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