SCHEMBL25625878

SCHEMBL25625878

CCCCCCCCCC=CC=CC(=O)N(C)CC[N+](C)(C)CCCS(=O)(=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.42
BBOX1 O75936 1/20 0.39
KDM4E B2RXH2 1/20 0.38
FASN P49327 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
ENPP2 Q13822 1/20 0.36
FAAH O00519 1/20 0.33

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
SCHEMBL6982279 0.90 EPHX2 (0.43) EPHX2KDM4EFASNCNR1CNR2
SCHEMBL11670841 0.77 BBOX1 (0.56) EPHX2BBOX1ENPP2FAAH
SCHEMBL25561192 0.75 ENPP2 (0.40) EPHX2BBOX1KDM4EFASNCNR1
SCHEMBL4232467 0.75 BBOX1 (0.46) BBOX1
SCHEMBL16229822 0.73 EPHX2 (0.45) EPHX2KDM4EFASNCNR1CNR2
SCHEMBL6816150 0.72 EPHX2 (0.52) EPHX2BBOX1ENPP2FAAH
SCHEMBL22352182 0.72 EPHX2 (0.59) EPHX2KDM4ECNR1
SCHEMBL19655438 0.72 EPHX2 (0.59) EPHX2KDM4ECNR1
SCHEMBL23001011 0.72 BBOX1 (0.46) EPHX2BBOX1CNR1ENPP2
SCHEMBL10975952 0.71 BBOX1 (0.68) BBOX1

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