SCHEMBL25625947

SCHEMBL25625947

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
BBOX1 O75936 3/20 0.35
CBLB Q13191 4/20 0.33
EPHX2 P34913 1/20 0.32
GAA P10253 1/20 0.31
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
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL23201936 0.89 KMT2A (0.40) KMT2AATMZDHHC20ZDHHC2BBOX1
SCHEMBL11409313 0.89 KMT2A (0.40) KMT2AATMZDHHC20ZDHHC2BBOX1
SCHEMBL35587 0.84 BBOX1 (0.47) KMT2AATMZDHHC20ZDHHC2BBOX1
SCHEMBL20511668 0.84 ZDHHC20 (0.45) KMT2AATMZDHHC20ZDHHC2BBOX1
Hydrochloric Acid SCHEMBL8674800 0.84 ZDHHC20 (0.47) KMT2AATMZDHHC20ZDHHC2BBOX1
SCHEMBL12002727 0.83 ZDHHC20 (0.44) KMT2AATMZDHHC20ZDHHC2BBOX1
SCHEMBL25211286 0.83 ZDHHC20 (0.46) KMT2AATMZDHHC20ZDHHC2BBOX1
SCHEMBL25625945 0.82 BBOX1 (0.35) BBOX1PSMD14PLA2G1BHSP90AA1MMP2
SCHEMBL23542769 0.82 ZDHHC20 (0.44) KMT2AATMZDHHC20ZDHHC2CBLB
SCHEMBL23565829 0.82 KMT2A (0.41) KMT2AATMZDHHC20ZDHHC2CBLB

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