SCHEMBL25625935

SCHEMBL25625935

C=C(C)C(=O)NCCC[N+](C)(C)CC(O)CCS(=O)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
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
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL25625945 0.89 BBOX1 (0.35) PSMD14PLA2G1BHSP90AA1MMP2ATG4B
SCHEMBL6979509 0.88 KMT2A (0.31) KMT2AATM
SCHEMBL245098 0.84 EPHX2 (0.35) KMT2AATM
SCHEMBL12985168 0.84 SLC22A16 (0.36) PSMD14PLA2G1BHSP90AA1MMP2ATG4B
SCHEMBL23565477 0.83 KMT2A (0.31) KMT2AATM
SCHEMBL12172334 0.82 EPHX2 (0.38) KMT2AATM
Water SCHEMBL138325 0.82 EPHX2 (0.35) KMT2AATM
Water SCHEMBL15391652 0.82 CBLB (0.34) KMT2AATM
Hydrochloric Acid SCHEMBL3644710 0.82 EPHX2 (0.35) KMT2AATM
Hydrochloric Acid SCHEMBL4369333 0.82 MAPT (0.35) PSMD14PLA2G1BHSP90AA1MMP2ATG4B

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