SCHEMBL21001038

SCHEMBL21001038

COC(=O)[C@]1(CC=C(C)C)CC=CCC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 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
SCHEMBL22614870 1.00 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL9687573 0.77 CYP4F2 (0.45) CYP4F2CYP4A11
SCHEMBL21001093 0.70
SCHEMBL27971194 0.70 TACR1 (0.40)
SCHEMBL17106387 0.69 CYP4F2 (0.32) CYP4F2CYP4A11
SCHEMBL17106388 0.69 CYP4F2 (0.32) CYP4F2CYP4A11
SCHEMBL21001036 0.69 MEN1 (0.32)
SCHEMBL8236492 0.68 CYP4F2 (0.35) CYP4F2CYP4A11
SCHEMBL22188545 0.68 PKM (0.45) CYP4F2CYP4A11
SCHEMBL11076184 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3713610-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR Firmenich SA (CH) 2020-09-30 EP disclosed
EP-3713609-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS Firmenich SA (CH) 2020-09-30 EP disclosed
WO-2019101821-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2019-05-31 WO disclosed
WO-2019101814-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2019-05-31 WO disclosed