SCHEMBL10693602

SCHEMBL10693602

CCCCC/C=C\C/C=C\CCCCCCCC(=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
ALDH1A1 P00352 1/20 0.64
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
S1PR1 P21453 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.52
PLA2G1B P04054 1/20 0.52
PLA2G2A P14555 1/20 0.52
NR5A2 O00482 1/20 0.52
NR5A1 Q13285 1/20 0.52
MAPT P10636 2/20 0.51
PLA2G10 O15496 1/20 0.51
MAPK1 P28482 2/20 0.50
SMPD1 P17405 1/20 0.50
GMNN O75496 1/20 0.50
LMNA P02545 1/20 0.50
MTOR P42345 1/20 0.50
BLM P54132 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL9710185 0.91 SMN1; SMN2 (0.61) MEN1KMT2ASMN1; SMN2PLA2G1BPLA2G2A
SCHEMBL17962981 0.91 SMN1; SMN2 (0.61) MEN1KMT2ASMN1; SMN2PLA2G1BPLA2G2A
SCHEMBL18210636 0.91 SMN1; SMN2 (0.61) MEN1KMT2ASMN1; SMN2PLA2G1BPLA2G2A
SCHEMBL6027169 0.88 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AS1PR1SMN1; SMN2
SCHEMBL3867322 0.85 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AS1PR1SMN1; SMN2
SCHEMBL3861371 0.85 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AS1PR1SMN1; SMN2
SCHEMBL29360640 0.83 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AS1PR1SMN1; SMN2
SCHEMBL31596828 0.83 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AS1PR1SMN1; SMN2
SCHEMBL29748725 0.83 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AS1PR1SMN1; SMN2
SCHEMBL29638871 0.83 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AS1PR1SMN1; SMN2

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-4746652-A Method of inducing diuresis with lysophospholipids WAKE FOREST UNIVERSITY (US) 1988-05-24 US disclosed