SCHEMBL5265500

SCHEMBL5265500

O=C(COc1ccccc1)OCCCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
RECQL P46063 1/20 0.55
ALOX15 P16050 1/20 0.53
KCNA3 P22001 1/20 0.50
NPC1 O15118 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALPL P05186 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
THRB P10828 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 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
SCHEMBL4092994 0.95 KCNA3 (0.53) ALDH1A1RECQLALOX15KCNA3NPC1
SCHEMBL4103568 0.93 KCNA3 (0.52) ALDH1A1RECQLALOX15KCNA3NPC1
SCHEMBL13444676 0.91 KCNA3 (0.61) ALDH1A1RECQLALOX15KCNA3NPC1
SCHEMBL8420559 0.91 KCNA3 (0.61) ALDH1A1RECQLALOX15KCNA3NPC1
SCHEMBL1396715 0.89 ALDH1A1 (0.64) ALDH1A1RECQLALOX15KCNA3NPC1
SCHEMBL28425775 0.85 RAB9A (0.64) ALDH1A1RECQLALOX15KCNA3NPC1
SCHEMBL10934959 0.85 ALOX15 (0.52) ALDH1A1RECQLALOX15KCNA3NPC1
SCHEMBL11655422 0.85 LTA4H (0.61) RECQLTSHR
SCHEMBL12760862 0.83 ALDH1A1 (0.56) ALDH1A1RECQLALOX15NPC1TSHR
SCHEMBL11243219 0.83 ALDH1A1 (0.56) ALDH1A1RECQLALOX15NPC1TSHR

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 5 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
EP-1167507-B1 Malodor counteractant compositions and methods for preparing and using same BUSH BOAKE ALLEN INC (US) 2007-10-10 EP 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