SCHEMBL8796646

SCHEMBL8796646

COC(=O)c1cccc(/C(=C/CCc2ccc3c(c2)C(C)(C)CCC3(C)C)CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
PLA2G4A P47712 1/20 0.41
CYP26A1 O43174 3/20 0.38
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
PARP1 P09874 1/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CYP26B1 Q9NR63 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
RARA P10276 2/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.33
PPARG P37231 2/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL8796651 1.00 CYP3A4 (0.41) CYP3A4PLA2G4ACYP26A1CYP4F2CYP4A11
SCHEMBL8796507 0.87 PLA2G4A (0.39) PLA2G4ACYP26A1RXRARXRBRXRG
SCHEMBL8796517 0.87 PLA2G4A (0.39) PLA2G4ACYP26A1RXRARXRBRXRG
SCHEMBL8794991 0.81 PLA2G4A (0.42) PLA2G4ACYP4F2CYP4A11RARARARB
SCHEMBL8795002 0.81 PLA2G4A (0.42) PLA2G4ACYP4F2CYP4A11RARARARB
SCHEMBL8795828 0.79 PLA2G4A (0.46) CYP3A4PLA2G4ACYP26A1CYP4F2CYP4A11
SCHEMBL8795836 0.79 PLA2G4A (0.46) CYP3A4PLA2G4ACYP26A1CYP4F2CYP4A11
SCHEMBL8795625 0.77 PLA2G4A (0.49) CYP3A4PLA2G4ACYP26A1CYP4F2CYP4A11
SCHEMBL8796260 0.76 MAPT (0.45) CYP4F2CYP4A11
SCHEMBL8796270 0.76 MAPT (0.45) CYP4F2CYP4A11

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 3 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
EP-0629604-A2 Alicyclic phospholipase A2 inhibitors Bristol-Myers Company (US) 1994-12-21 EP disclosed