SCHEMBL9540650

SCHEMBL9540650

CCCCCCCCCCCC(=O)CCCCCCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
EPHX2 P34913 2/20 0.51
PLA2G4B P0C869 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL29242919 1.00 CETP (0.52) CETPKMT2AMEN1EPHX2PLA2G4B
SCHEMBL18800110 0.97 EPHX2 (0.51) CETPKMT2AMEN1EPHX2PLA2G4B
SCHEMBL25616458 0.95 L3MBTL1 (0.50) CETPKMT2AMEN1EPHX2PLA2G4B
SCHEMBL25118437 0.94 CETP (0.52) CETPKMT2AMEN1EPHX2PLA2G4B
SCHEMBL19032713 0.92 EPHX2 (0.57) EPHX2L3MBTL1TDP1TSHRMAPT
SCHEMBL10081325 0.92 EPHX2 (0.57) EPHX2L3MBTL1TDP1TSHRMAPT
SCHEMBL25269510 0.92 EPHX2 (0.57) EPHX2L3MBTL1TDP1TSHRMAPT
SCHEMBL19127414 0.88 CETP (0.50) CETPKMT2AMEN1EPHX2L3MBTL1
SCHEMBL19734678 0.88 TSHR (0.50) CETPKMT2AMEN1EPHX2L3MBTL1
SCHEMBL11601193 0.88 EPHX2 (0.50) EPHX2L3MBTL1TDP1ALDH1A1CYP3A4

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-1993001196-A1 KETOALKYLGLYCEROPHOSPHOLIPIDS HAVING ANTITUMOR AND ANTI-PLATELET AGGREGATION ACTIVITIES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREFROM LABORATORIOS MENARINI S.A. (ES) 1993-01-21 WO disclosed