SCHEMBL8796451

SCHEMBL8796451

CCOC(=O)c1cccc(C(/C=C\C(=O)O)=C\c2ccc3c(c2)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.47
RARG P13631 9/20 0.47
RARA P10276 9/20 0.47
RXRA P19793 6/20 0.47
CYP26A1 O43174 3/20 0.46
PLA2G4A P47712 1/20 0.43
CYP3A4 P08684 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL8795942 0.91 PLA2G4A (0.54) RARBRARGRARARXRACYP26A1
SCHEMBL8796307 0.90 RARB (0.46) RARBRARGRARARXRACYP26A1
SCHEMBL8796313 0.90 RARB (0.46) RARBRARGRARARXRACYP26A1
SCHEMBL8796339 0.89 RARB (0.49) RARBRARGRARARXRACYP26A1
SCHEMBL9260234 0.86 RARB (0.59) RARBRARGRARARXRACYP26A1
SCHEMBL8794879 0.86 RARB (0.59) RARBRARGRARARXRACYP26A1
SCHEMBL8796233 0.86 RARB (0.59) RARBRARGRARARXRACYP26A1
SCHEMBL9260227 0.86 RARB (0.59) RARBRARGRARARXRACYP26A1
SCHEMBL8796470 0.83 RARB (0.46) RARBRARGRARARXRACYP26A1
SCHEMBL8796047 0.83 RARB (0.46) RARBRARGRARARXRACYP26A1

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