Cyclohexane

Cyclohexane

SCHEMBL1243556

C1CCCCC1.C1CCCCC1.CC(=O)CC1(CC(C)=O)CCCCC1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
CACNA2D1 P54289 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD11B1 P28845 2/20 0.35

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
SCHEMBL11032622 1.00 CYP1A2 (0.46) CYP1A2USP2ALDH1A1LMNATSHR
Cyclohexane SCHEMBL6664121 1.00 CYP1A2 (0.46) CYP1A2USP2ALDH1A1LMNATSHR
Cyclohexane SCHEMBL4960596 1.00 CYP1A2 (0.46) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL2612029 0.97 ALDH1A1 (0.43) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL2168378 0.91 ALDH1A1 (0.61) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL14448382 0.91 ALDH1A1 (0.61) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL8267491 0.88 ALDH1A1 (0.42) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL13863969 0.88 CYP1A2 (0.57) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL13544799 0.86 ALDH1A1 (0.41) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL12173742 0.86 ALDH1A1 (0.67) CYP1A2USP2ALDH1A1LMNATSHR

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
WO-2011018588-A2 FGF RECEPTOR-ACTIVATING N-ACYL OCTASACCHARIDES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-02-17 WO disclosed
EP-1049721-B1 SYNTHETIC POLYSACCHARIDES, THEIR METHOD OF PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2001-11-21 EP disclosed
EP-1049721-A1 SYNTHETIC POLYSACCHARIDES, THEIR METHOD OF PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2000-11-08 EP disclosed
WO-1999036443-A1 SYNTHETIC POLYSACCHARIDES, THEIR METHOD OF PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 1999-07-22 WO disclosed