SCHEMBL6944920

SCHEMBL6944920

C=C(C)C(=O)NCCC[N+](C)(C)CCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 5/20 0.50
ADRA1A P35348 1/20 0.43
PLA2G2A P14555 2/20 0.41
PLA2G4A P47712 1/20 0.41
CBLB Q13191 6/20 0.39
PRMT1 Q99873 1/20 0.38
EPHX2 P34913 1/20 0.38
ATM Q13315 2/20 0.35
KMT2A Q03164 1/20 0.35

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
Water SCHEMBL7088795 0.98 BBOX1 (0.49) BBOX1ADRA1APLA2G2APLA2G4ACBLB
SCHEMBL11949114 0.95 ADRA1A (0.46) BBOX1ADRA1APLA2G2APLA2G4ACBLB
SCHEMBL9065100 0.94 BBOX1 (0.42) BBOX1ADRA1APLA2G2APLA2G4ACBLB
Betaine SCHEMBL5180578 0.93 BBOX1 (0.44) BBOX1ADRA1APLA2G2APLA2G4ACBLB
SCHEMBL21783321 0.88 CBLB (0.43) BBOX1CBLBATMKMT2A
Betaine SCHEMBL5166537 0.87 TSHR (0.39) BBOX1ADRA1APLA2G2APLA2G4ACBLB
Betaine SCHEMBL5167081 0.87 BBOX1 (0.44) BBOX1ADRA1APLA2G2APLA2G4ACBLB
SCHEMBL23375507 0.86 CBLB (0.42) ADRA1ACBLBATMKMT2A
SCHEMBL19458462 0.86 CBLB (0.42) ADRA1ACBLBATMKMT2A
SCHEMBL18327380 0.86 CBLB (0.42) ADRA1ACBLBATMKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1323753-A1 Self-adhesive cationic or amphoteric radical polymers and their use in cosmetic L'OREAL (FR) 2003-07-02 EP claimed
EP-1323753-A1 Self-adhesive cationic or amphoteric radical polymers and their use in cosmetic L'OREAL (FR) 2003-07-02 EP disclosed