SCHEMBL18136173

SCHEMBL18136173

C=C(C)C(=O)NCC[N+](C)(C)CCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 7/20 0.37
LMNA P02545 1/20 0.34
SLC15A2 Q16348 1/20 0.34
ADRA1A P35348 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 1/20 0.33
TGFBR1 P36897 1/20 0.33
PHF8 Q9UPP1 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
EPHX2 P34913 1/20 0.30
FFAR1 O14842 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
Betaine SCHEMBL5167095 0.92 TSHR (0.41) BBOX1LMNAADRA1ABCHEACHE
SCHEMBL9065100 0.90 BBOX1 (0.42) BBOX1ADRA1APLA2G2APLA2G4AEPHX2
SCHEMBL535704 0.85 BBOX1 (0.39) BBOX1BCHEACHE
SCHEMBL11949115 0.84 TSHR (0.35) LMNABCHEACHETGFBR1KDM4E
Betaine SCHEMBL5167081 0.84 BBOX1 (0.44) BBOX1LMNAADRA1AACHEPLA2G2A
Betaine SCHEMBL5166537 0.84 TSHR (0.39) BBOX1LMNAADRA1APLA2G2APLA2G4A
SCHEMBL6944920 0.83 BBOX1 (0.50) BBOX1ADRA1APLA2G2APLA2G4AEPHX2
SCHEMBL11949114 0.82 ADRA1A (0.46) BBOX1LMNAADRA1APLA2G2APLA2G4A
Water SCHEMBL7088795 0.82 BBOX1 (0.49) BBOX1ADRA1APLA2G2APLA2G4AEPHX2
SCHEMBL16271548 0.81 TGFBR1 (0.33) BBOX1ADRA1APLA2G2ATGFBR1

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-20160296322-A1 SYNTHETIC HEART VALVES COMPOSED OF ZWITTERIONIC POLYMERS BOSTON SCIENTIFIC SCIMED, INC. 2016-10-13 US disclosed