SCHEMBL8727561

SCHEMBL8727561

CC(O)P(=O)=O.CCCCCCCCCCS(=O)(=O)NC(CO)CCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH2 Q9NR71 1/20 0.40
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
GPR84 Q9NQS5 4/20 0.34
CYP2D6 P10635 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 1/20 0.34
HTT P42858 1/20 0.34
UBE2N P61088 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8733089 0.90 ASAH2 (0.43) ASAH2LMNATP53
SCHEMBL8734261 0.90 ASAH2 (0.43) ASAH2LMNATP53
SCHEMBL8729196 0.90 ASAH2 (0.43) ASAH2LMNATP53
SCHEMBL8731051 0.87 ASAH2 (0.43) ASAH2LMNA
SCHEMBL8733300 0.87 ASAH2 (0.43) ASAH2LMNA
SCHEMBL8729375 0.77 ASAH2 (0.38) ASAH2CETP
SCHEMBL8731343 0.77 ASAH2 (0.38) ASAH2CETP
SCHEMBL8733057 0.77 ASAH2 (0.38) ASAH2CETP
SCHEMBL8732304 0.77 ASAH2 (0.38) ASAH2CETP
SCHEMBL8727549 0.77 ASAH2 (0.38) ASAH2CETP

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
EP-0701561-B1 DESOXYAZAPHOSPHOLIPID DERIVATIVES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2 MENARINI LAB (ES) 1998-08-19 EP claimed
EP-0701561-B1 DESOXYAZAPHOSPHOLIPID DERIVATIVES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2 MENARINI LAB (ES) 1998-08-19 EP disclosed