SCHEMBL9710185

SCHEMBL9710185

CCCCCCCCCC(=O)C(O)[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
PLA2G1B P04054 1/20 0.61
PLA2G2A P14555 1/20 0.61
NR5A2 O00482 1/20 0.61
NR5A1 Q13285 1/20 0.61
LMNA P02545 3/20 0.59
ESR1 P03372 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CDC25A P30304 1/20 0.59
AGTR1 P30556 1/20 0.59
AKT1 P31749 1/20 0.59
ADRA1A P35348 1/20 0.59
KCNH2 Q12809 1/20 0.59
MAPT P10636 3/20 0.59
PLA2G10 O15496 1/20 0.59
MAPK1 P28482 4/20 0.58
MEN1 O00255 2/20 0.58
GMNN O75496 2/20 0.58
BLM P54132 2/20 0.58
KMT2A Q03164 2/20 0.58

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
SCHEMBL18210636 1.00 SMN1; SMN2 (0.61) SMN1; SMN2PLA2G1BPLA2G2ANR5A2NR5A1
SCHEMBL17962981 1.00 SMN1; SMN2 (0.61) SMN1; SMN2PLA2G1BPLA2G2ANR5A2NR5A1
SCHEMBL10693602 0.91 ALDH1A1 (0.64) SMN1; SMN2PLA2G1BPLA2G2ANR5A2NR5A1
SCHEMBL30986129 0.85 SMN1; SMN2 (0.67) SMN1; SMN2PLA2G1BPLA2G2ANR5A2NR5A1
SCHEMBL17065552 0.85 SMN1; SMN2 (0.67) SMN1; SMN2PLA2G1BPLA2G2ANR5A2NR5A1
SCHEMBL825278 0.85 SMN1; SMN2 (0.67) SMN1; SMN2PLA2G1BPLA2G2ANR5A2NR5A1
SCHEMBL5520736 0.83 LMNA (0.62) SMN1; SMN2PLA2G1BPLA2G2ANR5A2NR5A1
SCHEMBL17165009 0.82 LMNA (0.54) SMN1; SMN2PLA2G1BPLA2G2ANR5A2NR5A1
SCHEMBL10701463 0.82 SMN1; SMN2 (0.52) SMN1; SMN2PLA2G1BPLA2G2ANR5A2NR5A1
SCHEMBL3867322 0.81 ALDH1A1 (0.65) SMN1; SMN2PLA2G1BPLA2G2ANR5A2NR5A1

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
WO-1992022289-A1 NOVEL PHOSPHOLIPASE A2 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-12-23 WO claimed
WO-1992022289-A1 NOVEL PHOSPHOLIPASE A2 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-12-23 WO disclosed