SCHEMBL1966041

SCHEMBL1966041

CCCCCCCC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OCCCCC(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NR5A2 O00482 1/20 0.54
▸ NR5A1 Q13285 1/20 0.54
▸ MAPT P10636 3/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ PLA2G1B P04054 1/20 0.47
▸ PLA2G2A P14555 1/20 0.47
▸ ADRA1D P25100 1/20 0.47
▸ PTAFR P25105 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ ADRA1B P35368 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ MAPK1 P28482 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ GMNN O75496 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ BLM P54132 2/20 0.45

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
SCHEMBL2233806 0.87 RECQL (0.69) RECQLSMN1; SMN2NR5A2NR5A1MAPT
SCHEMBL1963543 0.84 RECQL (0.63) RECQLSMN1; SMN2NR5A2NR5A1MAPT
SCHEMBL2145736 0.84 RECQL (0.63) RECQLSMN1; SMN2NR5A2NR5A1MAPT
SCHEMBL2314609 0.81 RECQL (0.59) RECQLSMN1; SMN2NR5A2NR5A1MAPT
SCHEMBL1965222 0.80 PPARG (0.44) SMN1; SMN2MAPTALDH1A1MAPK1MEN1
SCHEMBL2837952 0.80 RECQL (0.57) RECQLSMN1; SMN2NR5A2NR5A1MAPT
SCHEMBL1962739 0.78 SMN1; SMN2 (0.58) SMN1; SMN2MAPTALDH1A1PLA2G1BPLA2G2A
SCHEMBL3830729 0.78 MEN1 (0.57) SMN1; SMN2ALDH1A1PLA2G1BPLA2G2AADRA1D
SCHEMBL825278 0.75 SMN1; SMN2 (0.67) RECQLSMN1; SMN2NR5A2NR5A1MAPT
SCHEMBL17065552 0.75 SMN1; SMN2 (0.67) RECQLSMN1; SMN2NR5A2NR5A1MAPT

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-2010052718-A9 OXIDIZED LIPID COMPOUNDS AND USES THEREOF VASCULAR BIOGENICS LTD. (IL) 2011-06-16 — — WO disclosed
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