SCHEMBL5690451

SCHEMBL5690451

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

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49

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
SCHEMBL114682 1.00 CYP1A2 (0.49) CYP1A2
SCHEMBL5435198 1.00 CYP1A2 (0.49) CYP1A2
SCHEMBL80633 0.93 CYP1A2 (0.46) CYP1A2
SCHEMBL81708 0.92 CYP1A2 (0.44) CYP1A2
SCHEMBL28350743 0.74 CYP1A2 (0.47) CYP1A2
SCHEMBL906614 0.74 CYP1A2 (0.47) CYP1A2
SCHEMBL3722471 0.74 CYP1A2 (0.47) CYP1A2
SCHEMBL7976411 0.72 CYP1A2 (0.46) CYP1A2
SCHEMBL20772142 0.71 KDM4E (0.44) CYP1A2
SCHEMBL28748031 0.70 CYP1A2 (0.37) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1034161-B2 NOVEL COMPOUNDS DERIVED FROM MENTHOL AND USE AS REFRESHING AGENT FIRMENICH & CIE (CH) 2006-03-15 EP claimed
EP-1034161-B1 NOVEL COMPOUNDS DERIVED FROM MENTHOL AND USE AS REFRESHING AGENT FIRMENICH & CIE (CH) 2002-09-18 EP claimed
US-6359168-B1 ORGANOLEPTIC FIRMENICH SA (CH) 2002-03-19 US claimed