SCHEMBL8796307

SCHEMBL8796307

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.46
RARA P10276 9/20 0.46
RARG P13631 8/20 0.46
RXRA P19793 3/20 0.46
TP53 P04637 3/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CYP26A1 O43174 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL8796313 1.00 RARB (0.46) RARBRARARARGRXRATP53
SCHEMBL8795929 0.91 PLA2G4A (0.51) RARBRARARARGRXRATP53
SCHEMBL8795935 0.91 PLA2G4A (0.51) RARBRARARARGRXRATP53
SCHEMBL8796451 0.90 RARB (0.47) RARBRARARARGRXRATP53
SCHEMBL8796470 0.85 RARB (0.46) RARBRARARARGRXRATP53
SCHEMBL8796047 0.85 RARB (0.46) RARBRARARARGRXRATP53
SCHEMBL8795997 0.82 RARA (0.46) RARBRARARARGRXRATP53
SCHEMBL8795942 0.81 PLA2G4A (0.54) RARBRARARARGRXRACYP26A1
SCHEMBL8795710 0.79 MEN1 (0.50) TP53POLBNPC1ALDH1A1LMNA
SCHEMBL8795718 0.79 MEN1 (0.50) TP53POLBNPC1ALDH1A1LMNA

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