SCHEMBL6171271

SCHEMBL6171271

C=CCNCCC=CNC(=O)OCCCC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
ACHE P22303 10/20 0.39
EPHX2 P34913 2/20 0.37
EPHX1 P07099 1/20 0.36
ATM Q13315 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL6171676 0.84 EPHX2 (0.40) HPGDTSHRACHEEPHX2EPHX1
SCHEMBL6170813 0.81 ACHE (0.39) ACHEEPHX2EPHX1ATM
SCHEMBL2301673 0.76 EPHX2 (0.50) EPHX2EPHX1ATM
SCHEMBL6571002 0.74 EPHX2 (0.56) HPGDEPHX2ATM
SCHEMBL7770641 0.74 TSHR (0.47) HPGDTSHREPHX2ATMCNR1
SCHEMBL2946547 0.73 EPHX1 (0.44) HPGDTSHRACHEEPHX1ATM
SCHEMBL14321822 0.73 HPGD (0.50) HPGDTSHRACHEEPHX1ATM
SCHEMBL14321821 0.73 HPGD (0.50) HPGDTSHRACHEEPHX1ATM
SCHEMBL1486852 0.73 ACHE (0.55) HPGDTSHRACHEEPHX1ATM
SCHEMBL7774748 0.73 TSHR (0.49) HPGDTSHREPHX2ATMCNR1

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-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP disclosed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 WO disclosed