SCHEMBL4092994

SCHEMBL4092994

O=C(COc1ccccc1)OCCCCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.53
ALDH1A1 P00352 1/20 0.53
RECQL P46063 1/20 0.53
ALOX15 P16050 1/20 0.52
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MMP12 P39900 2/20 0.48
MMP1 P03956 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL4103568 0.98 KCNA3 (0.52) KCNA3ALDH1A1RECQLALOX15MMP2
SCHEMBL5265500 0.95 ALDH1A1 (0.55) KCNA3ALDH1A1RECQLALOX15MMP2
SCHEMBL8420559 0.93 KCNA3 (0.61) KCNA3ALDH1A1RECQLALOX15MMP2
SCHEMBL13444676 0.93 KCNA3 (0.61) KCNA3ALDH1A1RECQLALOX15MMP2
SCHEMBL1396715 0.88 ALDH1A1 (0.64) KCNA3ALDH1A1RECQLALOX15NPC1
N-Amyl Phenoxyacetate SCHEMBL8673101 0.85 LTA4H (0.60) TSHR
SCHEMBL28425775 0.84 RAB9A (0.64) KCNA3ALDH1A1RECQLALOX15MMP12
SCHEMBL9627007 0.84 PLA2G4B (0.60) TSHR
SCHEMBL21384549 0.84 PLA2G4B (0.60) TSHR
SCHEMBL21381323 0.84 PLA2G4B (0.60) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4310512-A Derivatives of acetic and propionic acids, compositions containing same and use as malodor counteractants BUSH BOAKE ALLEN INC. (US) 1982-01-12 US claimed
US-10426131-B2 Fragrance composition GIVAUDAN S.A. (CH) 2019-10-01 US disclosed
US-10004205-B2 Fragrance composition GIVAUDAN SA (CH) 2018-06-26 US disclosed
US-20180070555-A1 Fragrance Composition GIVAUDAN S.A. (CH) 2018-03-15 US disclosed
EP-1865763-B1 FRAGRANCE COMPOSITION GIVAUDAN SA (CH) 2012-08-22 EP disclosed
CN-101184389-B Fragrance composition GIVAUDAN S.A. (CH) 2011-12-21 CN disclosed
US-20090126644-A1 FRAGRANCE COMPOSITION GIVAUDAN SA (CH) 2009-05-21 US disclosed
CN-101184389-A Fragrance composition GIVAUDAN SA (CH) 2008-05-21 CN disclosed
EP-1865763-A1 FRAGRANCE COMPOSITION Givaudan SA (CH) 2007-12-19 EP disclosed
EP-1167507-B1 Malodor counteractant compositions and methods for preparing and using same BUSH BOAKE ALLEN INC (US) 2007-10-10 EP disclosed
WO-2006105680-A1 FRAGRANCE COMPOSITION GIVAUDAN SA (CH) 2006-10-12 WO disclosed
US-6432891-B1 INTRODUCING INTO SOLID OR LIQUID, SOAP OR DETERGENT COMPOUND SELECTED FROM 1-CYCLOHEXYL-ETHYLBUTYRATE, 1-CYCLOHEXYL-ETHYLACETATE, 1-CYCLOHEXYL-ETHANOL, 4-ISOPROPYL-CYCLOHEXYLPROPIONATE BUSH BOAKE ALLEN INC., 2002-08-13 US disclosed
US-20020032131-A1 Malodor counteractant compositions and methods for preparing and using same BUSH BOAKE ALLEN INC. 2002-03-14 US disclosed
EP-1167507-A2 Malodor counteractant compositions and methods for preparing and using same Bush Boake Allen Inc. (US) 2002-01-02 EP disclosed