SCHEMBL5267846

SCHEMBL5267846

O=C(OCC1=CCCCC1)OCC1=CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HPGD P15428 1/20 0.39
EPHX1 P07099 1/20 0.39
LMNA P02545 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
SCHEMBL3917810 0.94 GSTP1 (0.39) TAAR1SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL10765456 0.88 SMN1; SMN2 (0.43) TAAR1SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL4767012 0.87 KMT2A (0.40) TAAR1SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL5266129 0.86 TAAR1 (0.43) TAAR1SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL15128314 0.85 PTPN1 (0.46) TAAR1SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL10763469 0.85 TAAR1 (0.42) TAAR1SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL10760634 0.82 MEN1 (0.41) TAAR1SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL15128198 0.82 KDM4E (0.41) SMN1; SMN2ALDH1A1RAB9ANPC1ALOX15
SCHEMBL10765379 0.82 MEN1 (0.41) TAAR1SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL15005625 0.82 ALDH1A1 (0.39) TAAR1SMN1; SMN2ALDH1A1RAB9ANPC1

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
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