SCHEMBL111998

SCHEMBL111998

C[C@H]1CCCCCCCCCCCCCC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 1.00
CA1 P00915 3/20 0.95
CA2 P00918 3/20 0.95
CA4 P22748 3/20 0.95
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
CA6 P23280 2/20 0.36
MCL1 Q07820 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL2350124 1.00 KMT2A (1.00) KMT2ACA1CA2CA4HTT
SCHEMBL2348541 1.00 KMT2A (1.00) KMT2ACA1CA2CA4HTT
SCHEMBL2340248 1.00 KMT2A (1.00) KMT2ACA1CA2CA4HTT
SCHEMBL107928 1.00
SCHEMBL2344671 1.00 KMT2A (1.00) KMT2ACA1CA2CA4HTT
SCHEMBL2344609 1.00 KMT2A (1.00) KMT2ACA1CA2CA4HTT
SCHEMBL16657576 1.00
SCHEMBL2340771 1.00 KMT2A (1.00) KMT2ACA1CA2CA4HTT
SCHEMBL2350406 1.00 KMT2A (1.00) KMT2ACA1CA2CA4HTT
SCHEMBL2350907 1.00 KMT2A (1.00) KMT2ACA1CA2CA4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424829-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR Symrise AG (DE) 2012-03-07 EP disclosed
WO-2009101216-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE GMBH & CO. KG (DE) 2009-08-20 WO disclosed
EP-1915123-A1 USES OF (Z)-1-(3-METHYL-BUT-2-ENYLOXY)-HEX-3-ENE Symrise GmbH & Co. KG (DE) 2008-04-30 EP disclosed
EP-1869150-A1 PERFUME COMPOSITIONS Quest International Services B.V. (NL) 2007-12-26 EP disclosed
EP-1797025-A1 4-ISOAMYLCYCLOHEXANOL AS ODIFERANT Symrise GmbH & Co. KG (DE) 2007-06-20 EP disclosed
EP-1797026-A1 (Z)-8-CYCLOHEPTADECENE-1-ONE USED AS A PERFUME Symrise GmbH & Co. KG (DE) 2007-06-20 EP disclosed
EP-1791804-A1 2-ALKYLIDENE- AND 2-(ALKYL-1-ENE)-CYCLOPENTANONE AS PERFUMES Symrise GmbH & Co. KG (DE) 2007-06-06 EP disclosed
WO-2007017478-A1 USES OF (Z)-1-(3-METHYL-BUT-2-ENYLOXY)-HEX-3-ENE SYMRISE GMBH & CO. KG (DE) 2007-02-15 WO disclosed
WO-2006109078-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2006-10-19 WO disclosed
WO-2006035010-A1 4-ISOAMYLCYCLOHEXANOL AS ODIFERANT SYMRISE GMBH & CO. KG (DE) 2006-04-06 WO disclosed
WO-2006032665-A1 (Z)-8-CYCLOHEPTADECENE-1-ONE USED AS A PERFUME SYMRISE GMBH & CO. KG (DE) 2006-03-30 WO disclosed
WO-2006030010-A1 2-ALKYLIDENE- AND 2-(ALKYL-1-ENE)-CYCLOPENTANONE AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2006-03-23 WO disclosed