SCHEMBL23740691

SCHEMBL23740691

CC(=O)[C@H]1CC[C@@]2(C)CCC[C@@H](C)[C@@]2(C)C1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
PTGS1 P23219 1/20 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
SCHEMBL23740763 0.83 CYP2C19 (0.35)
SCHEMBL23740692 0.82 PTGS1 (0.40) CYP1A2PTGS1
SCHEMBL23740751 0.81 CYP1A2 (0.32) CYP1A2PTGS1
SCHEMBL23740693 0.81 CYP1A2 (0.32) CYP1A2PTGS1
SCHEMBL23740684 0.81 CYP1A2 (0.32) CYP1A2PTGS1
SCHEMBL22856783 0.71 PTGS1 (0.33) PTGS1
SCHEMBL21886041 0.71 PTGS1 (0.33) PTGS1
SCHEMBL20530486 0.69
SCHEMBL23457777 0.69 APLNR (0.43) CYP1A2
SCHEMBL715584 0.69 APLNR (0.43) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606901-B1 VETIVER ODORANT FIRMENICH & CIE (CH) 2021-08-11 EP disclosed