SCHEMBL8795002

SCHEMBL8795002

COC(=O)c1cccc(C(=CCCc2ccc(C34CC5CC(CC(C5)C3)C4)c(OC)c2)CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.42
HIF1A Q16665 9/20 0.37
EPAS1 Q99814 2/20 0.37
MDH1 P40925 2/20 0.37
MDH2 P40926 2/20 0.37
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX1 P07099 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8794991 1.00 PLA2G4A (0.42) PLA2G4AHIF1AEPAS1MDH1MDH2
SCHEMBL8795834 0.89 PLA2G4A (0.40) PLA2G4APOLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL8795840 0.89 PLA2G4A (0.40) PLA2G4APOLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL8795818 0.86 PLA2G4A (0.47) PLA2G4AHIF1AEPAS1MDH1MDH2
SCHEMBL8795811 0.86 PLA2G4A (0.47) PLA2G4AHIF1AEPAS1MDH1MDH2
SCHEMBL9259400 0.83 PLA2G4A (0.41) PLA2G4AHIF1AEPAS1EPHX2ALDH1A1
SCHEMBL8795615 0.82 PLA2G4A (0.48) PLA2G4AHIF1AEPAS1MDH1MDH2
SCHEMBL8795603 0.82 PLA2G4A (0.48) PLA2G4AHIF1AEPAS1MDH1MDH2
SCHEMBL8796646 0.81 CYP3A4 (0.41) PLA2G4ARARARARBRARGCYP4F2
SCHEMBL8796651 0.81 CYP3A4 (0.41) PLA2G4ARARARARBRARGCYP4F2

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-0629604-B1 Alicyclic phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-04-16 EP disclosed
US-5436369-A Alicyclic phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-25 US disclosed