Cyclohexane

Cyclohexane

SCHEMBL8523829

C1CCCCC1.O=C(O)CCCC1(C(=O)O)CC1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
CAMK2A Q9UQM7 1/20 0.42
LMNA P02545 3/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
CYP1A2 P05177 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.40
NFKB1 P19838 2/20 0.40
PMP22 Q01453 1/20 0.40
TBXAS1 P24557 2/20 0.40
GPR84 Q9NQS5 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GABRR3 A8MPY1 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
HDAC3 O15379 1/20 0.36
GABBR2 O75899 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL249726 0.96 CAMK2A (0.46) CYP2C19CAMK2ALMNASLC22A6CYP1A2
Cyclohexane SCHEMBL8602472 0.94 CYP2C19 (0.57) CYP2C19CAMK2ALMNASLC22A6CYP1A2
SCHEMBL248718 0.94 CYP2C19 (0.57) CYP2C19CAMK2ALMNASLC22A6CYP1A2
SCHEMBL277893 0.94 CYP2C19 (0.57) CYP2C19CAMK2ALMNASLC22A6CYP1A2
SCHEMBL249733 0.94 CYP2C19 (0.57) CYP2C19CAMK2ALMNASLC22A6CYP1A2
SCHEMBL250972 0.94 CYP2C19 (0.57) CYP2C19CAMK2ALMNASLC22A6CYP1A2
SCHEMBL220603 0.94 CYP2C19 (0.57) CYP2C19CAMK2ALMNASLC22A6CYP1A2
SCHEMBL3101468 0.94 CYP2C19 (0.57) CYP2C19CAMK2ALMNASLC22A6CYP1A2
SCHEMBL249881 0.94 CYP2C19 (0.57) CYP2C19CAMK2ALMNASLC22A6CYP1A2
SCHEMBL250046 0.94 CYP2C19 (0.57) CYP2C19CAMK2ALMNASLC22A6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977283-A Thermosetting adhesive and method of making same LEAR CORPORATION (US) 1999-11-02 US disclosed
WO-1998006767-A1 THERMOSETTING ADHESIVE AND METHOD OF MAKING SAME LEAR CORPORATION (US) 1998-02-19 WO disclosed