SCHEMBL8796507

SCHEMBL8796507

CC1(C)CCC(C)(C)c2cc(CC/C=C(\CO[Si](C)(C)C(C)(C)C)c3cccc(Br)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.39
RXRA P19793 3/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
CYP26A1 O43174 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32
RARA P10276 3/20 0.32
RARB P10826 2/20 0.32
RARG P13631 2/20 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
SCHEMBL8796517 1.00 PLA2G4A (0.39) PLA2G4ARXRARXRBRXRGCYP26A1
SCHEMBL8796651 0.87 CYP3A4 (0.41) PLA2G4ARXRARXRBRXRGCYP26A1
SCHEMBL8796646 0.87 CYP3A4 (0.41) PLA2G4ARXRARXRBRXRGCYP26A1
SCHEMBL8796136 0.84 NPC1 (0.39)
SCHEMBL8796142 0.84 NPC1 (0.39)
SCHEMBL8796491 0.83 RARG (0.38) PLA2G4ARXRARXRBRXRGCYP26A1
SCHEMBL8796493 0.83 RARG (0.38) PLA2G4ARXRARXRBRXRGCYP26A1
SCHEMBL8796156 0.82 PLA2G4A (0.44) PLA2G4ARXRARXRBRXRGCYP26A1
SCHEMBL8796149 0.82 PLA2G4A (0.44) PLA2G4ARXRARXRBRXRGCYP26A1
SCHEMBL8796232 0.81 RXRA (0.39) RXRARXRBRXRGCYP26A1CYP26B1

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