Cyclohexane

Cyclohexane

SCHEMBL21494734

C1CCCCC1.C1CCCCC1.Cc1cc(CC2=CCCCC2)cc(Cc2ccccc2)c1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
EPHX1 P07099 1/20 0.39
CXCR3 P49682 2/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
NPSR1 Q6W5P4 4/20 0.37
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CALM1 P0DP23 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 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
SCHEMBL23090397 0.98 ALDH1A1 (0.41) ALDH1A1HPGDHTR1AHTR7HTR6
SCHEMBL30513715 0.98 ALDH1A1 (0.41) ALDH1A1HPGDHTR1AHTR7HTR6
SCHEMBL112394 0.86 ALDH1A1 (0.49) ALDH1A1HPGDHTR1AHTR7HTR6
SCHEMBL8206338 0.86 ALDH1A1 (0.49) ALDH1A1HPGDHTR1AHTR7HTR6
SCHEMBL111084 0.86 ALDH1A1 (0.49) ALDH1A1HPGDHTR1AHTR7HTR6
SCHEMBL6806443 0.86 ALDH1A1 (0.49) ALDH1A1HPGDHTR1AHTR7HTR6
SCHEMBL28561920 0.84 ALDH1A1 (0.48) ALDH1A1HPGDHTR1AHTR7HTR6
Hydrochloric Acid SCHEMBL3407515 0.84 ALDH1A1 (0.48) ALDH1A1HPGDHTR1AHTR7HTR6
SCHEMBL1399903 0.84 ALDH1A1 (0.50) ALDH1A1HPGDHTR1AHTR7HTR6
SCHEMBL21494727 0.81 DAO (0.45) ALDH1A1HPGDHTR1AHTR7HTR6

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
EP-3781307-A1 PLATINUM-SULFUR-BASED SHELL CATALYST, PRODUCTION AND USE THEREOF IN THE DEHYDROGENATION OF HYDROCARBONS Clariant International Ltd (CH) 2021-02-24 EP disclosed
WO-2019201706-A1 PLATINUM-SULFUR-BASED SHELL CATALYST, PRODUCTION AND USE THEREOF IN THE DEHYDROGENATION OF HYDROCARBONS CLARIANT INTERNATIONAL LTD (CH) 2019-10-24 WO disclosed