SCHEMBL5266129

SCHEMBL5266129

O=C(O)OCC1=CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
EPHX1 P07099 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3917812 0.94 GSTP1 (0.38) TAAR1HPGDALDH1A1EPHX1NPSR1
SCHEMBL10765456 0.86 SMN1; SMN2 (0.43) TAAR1HPGDALDH1A1EPHX1SMN1; SMN2
SCHEMBL5267846 0.86 TAAR1 (0.41) TAAR1HPGDALDH1A1EPHX1SMN1; SMN2
SCHEMBL15128314 0.83 PTPN1 (0.46) TAAR1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL10763469 0.83 TAAR1 (0.42) TAAR1HPGDALDH1A1EPHX1SMN1; SMN2
SCHEMBL15508298 0.82 TAAR1 (0.42) TAAR1HPGDALDH1A1EPHX1NPSR1
SCHEMBL15005625 0.80 ALDH1A1 (0.39) TAAR1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL15128198 0.80 KDM4E (0.41) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL15005820 0.80 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1ALOX15
SCHEMBL8420960 0.80 HDAC4 (0.44) TAAR1HPGDALDH1A1SMN1; SMN2RAB9A

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
EP-1420771-B9 USE OF TRIFLUOROACETYL ALKYL-SUBSTITUTED PHENYL DERIVATIVES, PHENOL DERIVATIVES, AND BENZOYL DERIVATIVES IN THE TREATMENT AND/OR PROPHYLAXIS OF OBESITY AND ACCOMPANYING DISEASES AND/OR SECONDARY DISEASES SOLVAY PHARM GMBH (DE) 2007-10-17 EP claimed
EP-1420771-B1 USE OF TRIFLUOROACETYL ALKYL-SUBSTITUTED PHENYL DERIVATIVES, PHENOL DERIVATIVES, AND BENZOYL DERIVATIVES IN THE TREATMENT AND/OR PROPHYLAXIS OF OBESITY AND ACCOMPANYING DISEASES AND/OR SECONDARY DISEASES SOLVAY PHARM GMBH (DE) 2006-09-06 EP claimed
US-5100872-A Norbornene carbonates, cosmsetics, detergents INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-03-31 US claimed
US-5098886-A Mixing compounds to improve odor INTERNATIONAL FLAVORS & FRAGRANCES INC., A CORP. OF NEW YORK 1992-03-24 US claimed
EP-3468526-B1 FRAGRANCE MATERIAL TAKASAGO PERFUMERY CO LTD (JP) 2021-05-12 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
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
US-5100872-A Norbornene carbonates, cosmsetics, detergents INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-03-31 US disclosed
US-5100872-A Norbornene carbonates, cosmsetics, detergents INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-03-31 US disclosed
US-5098886-A Mixing compounds to improve odor INTERNATIONAL FLAVORS & FRAGRANCES INC., A CORP. OF NEW YORK 1992-03-24 US disclosed
US-5098886-A Mixing compounds to improve odor INTERNATIONAL FLAVORS & FRAGRANCES INC., A CORP. OF NEW YORK 1992-03-24 US disclosed
US-5098886-A Mixing compounds to improve odor INTERNATIONAL FLAVORS & FRAGRANCES INC., A CORP. OF NEW YORK 1992-03-24 US disclosed