Cyclohexane

Cyclohexane

SCHEMBL8102427

C1CCCCC1.C=C(C)C(=O)OCCCCCCCCC=CCCCCCCCC

nearest known ligand 0.73

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.73
FAAH O00519 4/20 0.50
EPHX2 P34913 2/20 0.46
TERT O14746 3/20 0.44
MAPT P10636 2/20 0.44
BLM P54132 2/20 0.44
HSD17B10 Q99714 2/20 0.44
FABP4 P15090 2/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DUSP3 P51452 1/20 0.44

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
Cyclohexane SCHEMBL8102416 1.00 TSHR (0.73) TSHRFAAHEPHX2TERTMAPT
SCHEMBL180885 0.95 TSHR (0.80) TSHRFAAHEPHX2TERTMAPT
SCHEMBL16669478 0.95 TSHR (0.80) TSHRFAAHEPHX2TERTMAPT
SCHEMBL31208246 0.95 TSHR (0.80) TSHRFAAHEPHX2TERTMAPT
SCHEMBL180887 0.95 TSHR (0.80) TSHRFAAHEPHX2TERTMAPT
SCHEMBL9261227 0.95 TSHR (0.80) TSHRFAAHEPHX2TERTMAPT
SCHEMBL16669481 0.95 TSHR (0.80) TSHRFAAHEPHX2TERTMAPT
SCHEMBL4398621 0.92 TSHR (0.74) TSHRFAAHTERTMAPTBLM
SCHEMBL4398619 0.92 TSHR (0.74) TSHRFAAHTERTMAPTBLM
SCHEMBL11116619 0.91 TSHR (0.73) TSHRFAAHHSD17B10FABP4LMNA

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-6015551-A COPOLYMER OF OLEFIN ACID, DIACID OR ANHYDRIDE AND VINYL OR ALLYL MONOMERS BASF AKTIENGESELLSCHAFT (DE) 2000-01-18 US disclosed