SCHEMBL25200083

SCHEMBL25200083

CC=C(C)C(=O)[C@@H]1C(C)=CC(OC(C)=O)CC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
CYP19A1 P11511 1/20 0.30
PTGS1 P23219 1/20 0.30
HSD11B1 P28845 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
SCHEMBL25199449 1.00 USP2 (0.33) USP2CYP3A4KCNJ5KCNJ3CYP19A1
SCHEMBL29275511 0.87
SCHEMBL31348323 0.85 CYP3A4 (0.36) USP2CYP3A4CYP19A1PTGS1HSD11B1
SCHEMBL25232601 0.85 CYP3A4 (0.36) USP2CYP3A4CYP19A1PTGS1HSD11B1
SCHEMBL25215465 0.84 USP2 (0.33) USP2CYP3A4CYP19A1PTGS1
SCHEMBL30415739 0.84 USP2 (0.33) USP2CYP3A4CYP19A1PTGS1
SCHEMBL25220587 0.82 GAA (0.36) USP2CYP3A4CYP19A1PTGS1
SCHEMBL29275527 0.81
SCHEMBL11455423 0.80 TRPM8 (0.32)
SCHEMBL11455425 0.80 TRPM8 (0.32)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4405323-A1 PROCESS FOR PREPARING A CYCLIC DIENE Firmenich SA (CH) 2024-07-31 EP disclosed
WO-2023094502-A1 PROCESS FOR PREPARING A CYCLIC DIENE FIRMENICH SA (CH) 2023-06-01 WO disclosed