Cyclohexene

Cyclohexene

SCHEMBL3146768

C1=CCCCC1.CCC(=O)O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.56
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
BBOX1 O75936 2/20 0.32
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.31
AKR1B1 P15121 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.30
HIF1A Q16665 1/20 0.30
EPHX1 P07099 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
Propionic Acid SCHEMBL4983364 1.00 FFAR3 (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL4983371 1.00 FFAR3 (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
Cyclopentene SCHEMBL4933266 0.94 FFAR3 (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
Cyclohexene SCHEMBL28829490 0.83 TDP1 (0.56) FFAR3TDP1ALDH1A1
Cyclohexene SCHEMBL27881533 0.83 ALDH1A1 (0.56) FFAR3TDP1ALDH1A1
Acetic Acid SCHEMBL29062607 0.82 FFAR3 (0.44) FFAR3
Acetic Acid SCHEMBL27952408 0.82 FFAR3 (0.44) FFAR3
Acetic Acid SCHEMBL4983986 0.82 FFAR3 (0.44) FFAR3
Acetic Acid SCHEMBL4983972 0.82 FFAR3 (0.44) FFAR3
Cyclohexene SCHEMBL27675874 0.82 FFAR3 (0.62) FFAR3HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076217-A1 ACYLOXYLATION CATALYST AND PROCESS FOR ITS PRODUCTION SHOWA DENKO K.K. (JP) 2010-03-25 US disclosed
EP-2099563-A1 ACYLOXYLATION CATALYST AND PROCESS FOR ITS PRODUCTION Showa Denko K.K. (JP) 2009-09-16 EP disclosed
WO-2008075588-A1 ACYLOXYLATION CATALYST AND PROCESS FOR ITS PRODUCTION SHOWA DENKO K.K. (JP) 2008-06-26 WO disclosed