SCHEMBL8797129

SCHEMBL8797129

CCCCCCCCCCOc1ccc(/C=C(\CO[Si](C)(C)C(C)(C)C)c2cccc(C(=O)OC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.48
PLA2G4B P0C869 4/20 0.43
MDH1 P40925 3/20 0.42
SMPD1 P17405 3/20 0.41
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
MDH2 P40926 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL8797137 1.00 PLA2G4A (0.48) PLA2G4APLA2G4BMDH1SMPD1NFKB1
SCHEMBL8796548 0.88 SMPD1 (0.37) PLA2G4AMDH1SMPD1POLBMAPT
SCHEMBL8796557 0.88 SMPD1 (0.37) PLA2G4AMDH1SMPD1POLBMAPT
SCHEMBL8795838 0.87 PLA2G4A (0.46) PLA2G4APLA2G4BSMPD1NFKB1NFKB2
SCHEMBL8795848 0.87 PLA2G4A (0.46) PLA2G4APLA2G4BSMPD1NFKB1NFKB2
SCHEMBL8795820 0.81 NPC1 (0.39) PLA2G4ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL8795809 0.81 NPC1 (0.39) PLA2G4ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL8796565 0.76 PTPN11 (0.37) PLA2G4ASMPD1SMN1; SMN2
SCHEMBL8795222 0.76 KMT2A (0.44) NPC1POLBMAPTSMN1; SMN2LMNA
SCHEMBL8795499 0.76 KMT2A (0.44) NPC1POLBMAPTSMN1; SMN2LMNA

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