SCHEMBL1154488

SCHEMBL1154488

CC=CCC1CCC(OC(C)=O)C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.33
▸ VDR P11473 1/20 0.33
▸ CHRM2 P08172 7/20 0.32
▸ CHRM1 P11229 5/20 0.32
▸ CHRM4 P08173 4/20 0.32
▸ CHRM3 P20309 4/20 0.32
▸ CHRM5 P08912 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ DHCR24 Q15392 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL1154487 1.00 USP2 (0.33) USP2VDRCHRM2CHRM1CHRM4
SCHEMBL11896501 0.90 CHRM2 (0.33) USP2VDRCHRM2CHRM1CHRM4
SCHEMBL11896499 0.90 CHRM2 (0.33) USP2VDRCHRM2CHRM1CHRM4
SCHEMBL5102184 0.74 CHRM2 (0.34) USP2VDRCHRM2CHRM1CHRM4
SCHEMBL22866385 0.74 ALDH1A1 (0.37) USP2VDRCHRM2CHRM1CHRM4
SCHEMBL5102182 0.74 CHRM2 (0.34) USP2VDRCHRM2CHRM1CHRM4
SCHEMBL5095310 0.74 USP2 (0.38) USP2VDRCHRM2CHRM1CHRM4
SCHEMBL5095308 0.74 USP2 (0.38) USP2VDRCHRM2CHRM1CHRM4
SCHEMBL9457865 0.73 THRA (0.30) MEN1KMT2A
SCHEMBL7334201 0.73 CHRM2 (0.44) CHRM2CHRM1CHRM4CHRM3CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4501687-A ETHERS OR ESTERS THEREOF, IMPARTING PLEASANT ODOR ROUSSEL UCLAF (FR) 1985-02-26 — — US claimed
US-7884065-B2 perfumes having rose and geranium notes SYMRISE AG (DE) 2011-02-08 — — US disclosed
US-20100130397-A1 4-Isoamylcyclohexanol as Odiferant SYMRISE GMBH & CO. KG (DE) 2010-05-27 — — US disclosed
EP-1797025-B1 4-ISOAMYLCYCLOHEXANOL AS ODIFERANT SYMRISE GMBH & CO KG (DE) 2008-08-13 — — EP disclosed
EP-1797025-A1 4-ISOAMYLCYCLOHEXANOL AS ODIFERANT Symrise GmbH & Co. KG (DE) 2007-06-20 — — EP disclosed
WO-2006035010-A1 4-ISOAMYLCYCLOHEXANOL AS ODIFERANT SYMRISE GMBH & CO. KG (DE) 2006-04-06 — — WO disclosed
EP-0053979-B1 CYCLOPENTANOL DERIVATIVES, THEIR PREPARATION, THEIR APPLICATION AS PERFUME AGENTS, THE COMPOSITIONS IN WHICH THESE PRODUCTS ARE INCORPORATED, AND THE INTERMEDIATES OBTAINED ROUSSEL-UCLAF (FR) 1985-07-10 — — EP disclosed
US-4501687-A ETHERS OR ESTERS THEREOF, IMPARTING PLEASANT ODOR ROUSSEL UCLAF (FR) 1985-02-26 — — US disclosed
EP-0053979-A2 Cyclopentanol derivatives, their preparation, their application as perfume agents, the compositions in which these products are incorporated, and the intermediates obtained ROUSSEL-UCLAF (FR) 1982-06-16 — — EP disclosed
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