SCHEMBL8796157

SCHEMBL8796157

CC1(C)CCC(C)(C)c2cc3cc(C=C(CO)c4cccc(Br)c4)ccc3cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 3/20 0.51
RARB P10826 13/20 0.38
RARG P13631 12/20 0.38
RARA P10276 12/20 0.38
RXRA P19793 6/20 0.36
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
NQO2 P16083 1/20 0.34
CYP26A1 O43174 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL8796153 1.00 PLA2G4A (0.51) PLA2G4ARARBRARGRARARXRA
SCHEMBL8795878 0.90 RARB (0.45) PLA2G4ARARBRARGRARARXRA
SCHEMBL8795884 0.90 RARB (0.45) PLA2G4ARARBRARGRARARXRA
SCHEMBL8795983 0.84 PLA2G4A (0.46) PLA2G4ARARBRARGRARARXRA
SCHEMBL8795992 0.84 PLA2G4A (0.46) PLA2G4ARARBRARGRARARXRA
SCHEMBL8796048 0.83 PLA2G4A (0.51) PLA2G4ARARBRARGRARARXRA
SCHEMBL8796056 0.83 PLA2G4A (0.51) PLA2G4ARARBRARGRARARXRA
SCHEMBL8795773 0.82 PLA2G4A (0.44) PLA2G4ARARBRARGRARARXRA
SCHEMBL8795779 0.82 PLA2G4A (0.44) PLA2G4ARARBRARGRARARXRA
SCHEMBL8796642 0.81 PLA2G4A (0.66) PLA2G4ARARBRARGRARARXRA

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