Cyclohexane

Cyclohexane

SCHEMBL8638010

C1CCCCC1.O=C[C@H](O)[C@@H](Oc1cc2ccccc2[nH]1)[C@H](OCl)[C@H](OBr)C(=O)O

nearest known ligand 0.32

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
DAO P14920 1/20 0.32
HPGD P15428 1/20 0.32
SRD5A2 P31213 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FLT3 P36888 1/20 0.30
CYP2A6 P11509 1/20 0.30
ALDH1A1 P00352 1/20 0.30
FAAH O00519 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
SCHEMBL55697 0.97 KDM4E (0.34) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL4608629 0.96 KDM4E (0.33) KDM4EMAPTDAOHPGDSRD5A2
Cyclohexylamine SCHEMBL1254606 0.93 SMYD3 (0.32) KDM4EHSD17B10ALDH1A1FAAH
SCHEMBL1246522 0.85 KDM4E (0.36) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL3225191 0.82 CYP2A6 (0.32) KDM4ECYP2A6ALDH1A1
SCHEMBL4925150 0.82 PDGFRB (0.34) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL7212875 0.82 CYP2A6 (0.32) KDM4ECYP2A6ALDH1A1
SCHEMBL8632759 0.80 CYP2A6 (0.32) CYP2A6
Cyclohexylamine SCHEMBL6923120 0.79 ALDH1A1 (0.33) ALDH1A1FAAH
SCHEMBL6570396 0.77 KDM4E (0.38) KDM4EMAPTDAOHPGDSRD5A2

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
US-5849515-A Method and medium for use in detecting E. coli and total coliforms HACH COMPANY (US) 1998-12-15 US claimed
US-5650290-A Method & Medium for use in detecting E. coli and total coliforms HACH COMPANY (US) 1997-07-22 US claimed
US-5849515-A Method and medium for use in detecting E. coli and total coliforms HACH COMPANY (US) 1998-12-15 US disclosed
US-5650290-A Method & Medium for use in detecting E. coli and total coliforms HACH COMPANY (US) 1997-07-22 US disclosed