SCHEMBL3983857

SCHEMBL3983857

CCCCCCCCCCCCCCCCCCCC(=O)OP(=O)(OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NR5A2 O00482 1/20 0.53
▸ NR5A1 Q13285 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ ESR1 P03372 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ CDC25A P30304 1/20 0.53
▸ AGTR1 P30556 1/20 0.53
▸ AKT1 P31749 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ MAPT P10636 1/20 0.51
▸ DGKA P23743 1/20 0.50
▸ RECQL P46063 1/20 0.49
▸ PLA2G1B P04054 1/20 0.47
▸ PLA2G2A P14555 1/20 0.47
▸ PLA2G10 O15496 1/20 0.46

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
SCHEMBL2638014 1.00 FABP3 (0.54) FABP3SMN1; SMN2NR5A2NR5A1LMNA
SCHEMBL31432721 1.00 FABP3 (0.54) FABP3SMN1; SMN2NR5A2NR5A1LMNA
SCHEMBL1768918 1.00 FABP3 (0.54) FABP3SMN1; SMN2NR5A2NR5A1LMNA
SCHEMBL3182833 1.00 FABP3 (0.54) FABP3SMN1; SMN2NR5A2NR5A1LMNA
SCHEMBL22721397 1.00 FABP3 (0.54) FABP3SMN1; SMN2NR5A2NR5A1LMNA
SCHEMBL1341976 1.00 FABP3 (0.54) FABP3SMN1; SMN2NR5A2NR5A1LMNA
SCHEMBL6666152 0.98 FABP3 (0.52) FABP3SMN1; SMN2NR5A2NR5A1LMNA
SCHEMBL617162 0.92 ALDH1A1 (0.53) FABP3SMN1; SMN2NR5A2NR5A1
SCHEMBL1643923 0.87 FABP3 (0.62) FABP3SMN1; SMN2NR5A2NR5A1LMNA
SCHEMBL5475892 0.87 FABP3 (0.62) FABP3SMN1; SMN2NR5A2NR5A1LMNA

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
WO-2009055788-A1 PNEUMOREDUCTIVE THERAPY AND COMPOSITIONS USEFUL THEREIN AERIS THERAPEUTICS, INC. (US) 2009-04-30 — — WO disclosed
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