SCHEMBL2441365

SCHEMBL2441365

Cc1ccc(C2(C(C)CCC=O)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ OPRM1 P35372 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL2441371 0.72 L3MBTL1 (0.38) OPRM1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL12981749 0.70 LMNA (0.40) OPRM1LMNA
SCHEMBL4438204 0.69 CYP2A6 (0.34) CYP2A6OPRM1LMNAHSD11B1
SCHEMBL2440125 0.69 OPRM1 (0.38) CYP2A6OPRM1LMNACYP3A4CYP2D6
SCHEMBL28045674 0.68 STAT3 (0.46) SRCCYP2A6
SCHEMBL11340864 0.68 STAT3 (0.46) SRCCYP2A6
SCHEMBL28039437 0.68 STAT3 (0.46) SRCCYP2A6
P-Xylene SCHEMBL29220647 0.67 CYP2A6 (0.52) CYP2A6LMNACYP3A4CYP2C9
SCHEMBL28417689 0.66 CNR1 (0.42) CYP2A6LMNA
SCHEMBL15066320 0.65 SLC6A4 (0.62) LMNACYP3A4

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-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 — — EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 — — WO claimed
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