SCHEMBL2837952

SCHEMBL2837952

C[N+](C)(C)CCOP(=O)([O-])OC[C@H](OCCCCC(=O)O)[C@H](O)CCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.57
▸ PLA2G1B P04054 1/20 0.50
▸ PLA2G2A P14555 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPK1 P28482 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ GMNN O75496 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ BLM P54132 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ HIF1A Q16665 2/20 0.48

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
SCHEMBL1963543 0.96 RECQL (0.63) RECQLPLA2G1BPLA2G2ASMN1; SMN2MAPK1
SCHEMBL2145736 0.96 RECQL (0.63) RECQLPLA2G1BPLA2G2ASMN1; SMN2MAPK1
SCHEMBL2314609 0.92 RECQL (0.59) RECQLPLA2G1BPLA2G2ASMN1; SMN2MAPK1
SCHEMBL20436157 0.82 RECQL (0.59) RECQLPLA2G1BPLA2G2ASMN1; SMN2MAPK1
SCHEMBL3830729 0.82 MEN1 (0.57) PLA2G1BPLA2G2ASMN1; SMN2MAPK1MEN1
SCHEMBL1962739 0.82 SMN1; SMN2 (0.58) PLA2G1BPLA2G2ASMN1; SMN2MAPK1MEN1
SCHEMBL21631754 0.82 LMNA (0.67) RECQLPLA2G1BPLA2G2ASMN1; SMN2LMNA
SCHEMBL2306258 0.81 RECQL (0.48) RECQLPLA2G1BPLA2G2ASMN1; SMN2MAPK1
SCHEMBL1966041 0.80 RECQL (0.55) RECQLPLA2G1BPLA2G2ASMN1; SMN2MAPK1
SCHEMBL2839821 0.79 RECQL (0.56) RECQLPLA2G1BPLA2G2ASMN1; SMN2MAPK1

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-A1 OXIDIZED LIPID COMPOUNDS AND USES THEREOF VASCULAR BIOGENICS LTD. (IL) 2010-05-14 — — WO disclosed
Send feedback