SCHEMBL25625941

SCHEMBL25625941

C=CC(=O)OCCC[N+](C)(C)CC(O)CCS(=O)(=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
BBOX1 O75936 2/20 0.35
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PSMD14 O00487 1/20 0.31
PLA2G1B P04054 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
THRB P10828 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
SCHEMBL23542760 0.89 TSHR (0.42) TSHRHPGDALDH1A1CYP3A4BBOX1
SCHEMBL35503 0.84 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4BBOX1
SCHEMBL25625939 0.82 TSHR (0.39) TSHRBBOX1PSMD14PLA2G1BHSP90AA1
SCHEMBL23542761 0.82 TSHR (0.43) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL18151515 0.82 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4BBOX1
SCHEMBL16798842 0.82 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4BBOX1
SCHEMBL16799361 0.82 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4BBOX1
SCHEMBL16798967 0.82 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4BBOX1
SCHEMBL16799249 0.82 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4BBOX1
SCHEMBL16798961 0.82 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4BBOX1

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
US-20230183515-A1 COATING COMPOSITION, USE AND METHODS FOR MAKING A SUBSTRATE FROST RESISTANT SOLVAY SA (BE) 2023-06-15 US disclosed