SCHEMBL5267768

SCHEMBL5267768

CC(C(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.44
GAA P10253 1/20 0.41
NPR3 P17342 1/20 0.37
CA12 O43570 3/20 0.37
CA14 Q9ULX7 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MMP2 P08253 2/20 0.36
CA9 Q16790 2/20 0.36
HPGD P15428 1/20 0.36
BTK Q06187 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 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
SCHEMBL30703250 0.94 BTK (0.40) EPHX1GAANPR3CA12CA14
SCHEMBL15619604 0.90 CA12 (0.36) EPHX1GAACA12CA14CA1
SCHEMBL12134936 0.90 CA12 (0.36) EPHX1GAACA12CA14CA1
SCHEMBL16302515 0.84 CHRM2 (0.35) EPHX1GAACA12CA14BTK
SCHEMBL15129485 0.83 DPP4 (0.44) EPHX1GAA
SCHEMBL12374491 0.83 DPP4 (0.44) EPHX1GAA
SCHEMBL27696070 0.83 DPP4 (0.44) EPHX1GAA
SCHEMBL24267213 0.82 EPHX1 (0.38) EPHX1CA1CA2HPGDNPC1
Hydrochloric Acid SCHEMBL3222770 0.81 DPP4 (0.42) EPHX1GAANPR3
Hydrochloric Acid SCHEMBL3222764 0.81 DPP4 (0.42) EPHX1GAANPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049544-A Perfumery composition comprising 2-cyclohexylpropionic acid or its derivative KAO CORPORATION (JP) 1991-09-17 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
EP-0411460-B1 Perfumery composition comprising 2-cyclohexylpropionic acid or its derivative KAO CORP (JP) 1995-03-22 EP disclosed
US-5049544-A Perfumery composition comprising 2-cyclohexylpropionic acid or its derivative KAO CORPORATION (JP) 1991-09-17 US disclosed
EP-0411460-A1 Perfumery composition comprising 2-cyclohexylpropionic acid or its derivative KAO CORPORATION (JP) 1991-02-06 EP disclosed