Cyclohexane

Cyclohexane

SCHEMBL11567704

C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.OCCCCC1CCCCC1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.56
CYP1A2 P05177 1/20 0.54
EPHX1 P07099 1/20 0.43
KDM5A P29375 3/20 0.41
PHF8 Q9UPP1 3/20 0.41
KDM2A Q9Y2K7 3/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM4A O75164 1/20 0.41
GLA P06280 1/20 0.38
HPGD P15428 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
SCHEMBL2078513 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL5313490 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL80440 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL1573054 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL25310908 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL1007122 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL1006136 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL330182 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL1006265 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL1006966 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4158726-A HIGH MOLECULAR WEIGHT, WATER-SOLUBLE CATIONIC ACRYLIC OR METHACRYLIC ESTER POLYMERS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1979-06-19 US disclosed