Cyclohexane

Cyclohexane

SCHEMBL4651983

C1CCCCC1.CC1CCC(C(=O)O)(C(=O)O)CC1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
EPHX1 P07099 1/20 0.38
CYP2C19 P33261 4/20 0.36
CYP2C9 P11712 2/20 0.36
FFAR3 O14843 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
STAT6 P42226 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32

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
SCHEMBL3420703 0.95 CYP2C19 (0.38) CYP1A2EPHX1CYP2C19CYP2C9FFAR3
SCHEMBL28858898 0.93 CYP2C19 (0.37) CYP1A2EPHX1CYP2C19CYP2C9FFAR3
SCHEMBL5476177 0.81 CYP1A2 (0.42) CYP1A2CYP2C19CYP2C9FFAR3LMNA
SCHEMBL633175 0.80 CYP2C9 (0.33) CYP1A2CYP2C19CYP2C9FFAR3
SCHEMBL4006703 0.79 NPSR1 (0.34) CYP1A2CYP2C19CYP2C9FFAR3LMNA
SCHEMBL524796 0.76 ALDH1A1 (0.38) EPHX1CYP2C19ALDH1A1LMNAPOLB
Methyl Alcohol SCHEMBL16395828 0.74 CYP2C19 (0.42) CYP1A2CYP2C19FFAR3ALDH1A1LMNA
Cyclohexane SCHEMBL1430293 0.74 CYP2C19 (0.42) CYP1A2CYP2C19FFAR3ALDH1A1LMNA
SCHEMBL4650803 0.74 CYP2D6 (0.35) CYP1A2CYP2C19FFAR3LMNAMAPK1
Methyl Alcohol SCHEMBL2126883 0.74 CYP2C19 (0.42) CYP1A2CYP2C19FFAR3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470910-B1 Multi-layer hose ASAHI GLASS CO LTD (JP) 2008-09-17 EP disclosed
US-6855787-B2 A multi-layer hose having a multi-layer structure containing an inner layer made of a fluorocopolymer and an outer layer made of polyamide resin ASAHI GLASS COMPANY, LIMITED (JP) 2005-02-15 US disclosed
EP-1470910-A1 Multi-layer hose Asahi Glass Co., Ltd. (JP) 2004-10-27 EP disclosed
US-20040191440-A1 A multi-layer hose having a multi-layer structure containing an inner layer made of a fluorocopolymer and an outer layer made of polyamide resin ASAHI GLASS COMPANY LIMITED (JP) 2004-09-30 US disclosed