Cyclohexane

Cyclohexane

SCHEMBL7155261

C1CCCCC1.OCC(CO)(CO)CO

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
DPP4 P27487 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
SCHEMBL29012014 1.00 ALDH1A1 (0.44) ALDH1A1TSHRMEN1LMNAKMT2A
SCHEMBL29043401 0.85 ALDH1A1 (0.54) ALDH1A1TSHRMEN1LMNAKMT2A
SCHEMBL8613971 0.85 ALDH1A1 (0.54) ALDH1A1TSHRMEN1LMNAKMT2A
SCHEMBL15049 0.85
SCHEMBL2508249 0.85 ALDH1A1 (0.54) ALDH1A1TSHRMEN1LMNAKMT2A
SCHEMBL29012032 0.85 ALDH1A1 (0.54) ALDH1A1TSHRMEN1LMNAKMT2A
SCHEMBL157380 0.85 ALDH1A1 (0.54) ALDH1A1TSHRMEN1LMNAKMT2A
SCHEMBL3406769 0.81 TSHR (0.43) ALDH1A1TSHR
Biphenyl SCHEMBL1537942 0.80 ALDH1A1 (0.47) ALDH1A1TSHR
Phosphine SCHEMBL9073377 0.80 ALDH1A1 (0.50) ALDH1A1TSHRMEN1LMNAKMT2A

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-6525162-B1 Structural, heat and chemical resistance; including rosin acid modified polyester EASTMAN CHEMICAL RESINS, INC. 2003-02-25 US disclosed