SCHEMBL27754248

SCHEMBL27754248

CCCCCCCCCCCCCCCCO[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.60
▸ LPAR1 Q92633 6/20 0.52
▸ LPAR3 Q9UBY5 6/20 0.52
▸ AKT1 P31749 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ PRKCG P05129 1/20 0.51
▸ PRKCB P05771 1/20 0.51
▸ PRKCA P17252 1/20 0.51
▸ PRKCH P24723 1/20 0.51
▸ PRKCI P41743 1/20 0.51
▸ PRKCE Q02156 1/20 0.51
▸ PRKCQ Q04759 1/20 0.51
▸ PRKCZ Q05513 1/20 0.51
▸ PRKCD Q05655 1/20 0.51
▸ PRKD1 Q15139 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MEN1 O00255 1/20 0.51

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
SCHEMBL28505999 1.00 FABP3 (0.60) FABP3LPAR1LPAR3AKT1LMNA
SCHEMBL28774238 1.00 FABP3 (0.60) FABP3LPAR1LPAR3AKT1LMNA
SCHEMBL30742834 1.00 FABP3 (0.60) FABP3LPAR1LPAR3AKT1LMNA
SCHEMBL28506000 1.00 FABP3 (0.60) FABP3LPAR1LPAR3AKT1LMNA
SCHEMBL31303928 1.00 FABP3 (0.60) FABP3LPAR1LPAR3AKT1LMNA
SCHEMBL31469215 1.00 FABP3 (0.60) FABP3LPAR1LPAR3AKT1LMNA
SCHEMBL20851913 0.90 LPAR1 (0.67) FABP3LPAR1LPAR3AKT1LMNA
SCHEMBL31282060 0.90 LPAR1 (0.67) FABP3LPAR1LPAR3AKT1LMNA
SCHEMBL22023008 0.90 LPAR1 (0.67) FABP3LPAR1LPAR3AKT1LMNA
SCHEMBL22023007 0.90 LPAR1 (0.67) FABP3LPAR1LPAR3AKT1LMNA

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
CN-101389273-B Gene or drug delivery system BAYLOR RES INST 2012-09-05 — — CN disclosed
CN-101389273-A Gene or drug delivery system BAYLOR RES INST (US) 2009-03-18 — — CN disclosed
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