SCHEMBL28620103

SCHEMBL28620103

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 5/20 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
THRB P10828 4/20 0.34
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRA P10827 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
SCHEMBL2424095 0.86 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27720505 0.83 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL924570 0.81 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27616488 0.80 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30938817 0.79 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11193107 0.78
SCHEMBL26116 0.78
SCHEMBL8966166 0.78 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8965588 0.77 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28524913 0.77 TSHR (0.42) 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-109661409-B Photopolymerization initiator, polymerizable composition, inkjet recording method, and acylphosphine oxide compound 富士胶片株式会社 2021-09-07 CN disclosed