SCHEMBL9258569

SCHEMBL9258569

CC(C)(C)[Si](C)(C)OC/C(=C\CCc1ccc(O[Si](C)(C)C(C)(C)C)c(C23CC4CC(CC(C4)C2)C3)c1)c1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.39
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC11 Q96DB2 1/20 0.30

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
SCHEMBL9257313 0.92 PLA2G4A (0.41) PLA2G4AHDAC11
SCHEMBL9258875 0.92 PLA2G4A (0.41) PLA2G4AHDAC11
SCHEMBL8795840 0.90 PLA2G4A (0.40) PLA2G4AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8795834 0.90 PLA2G4A (0.40) PLA2G4AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9259400 0.89 PLA2G4A (0.41) PLA2G4AALDH1A1
SCHEMBL8796839 0.83 PLA2G4A (0.42) PLA2G4A
SCHEMBL8796070 0.81 PLA2G4A (0.42) PLA2G4AALDH1A1
SCHEMBL8796507 0.81 PLA2G4A (0.39) PLA2G4A
SCHEMBL8796517 0.81 PLA2G4A (0.39) PLA2G4A
SCHEMBL8795002 0.79 PLA2G4A (0.42) PLA2G4AALDH1A1

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
US-5436369-A Alicyclic phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-25 US disclosed