SCHEMBL6171676

SCHEMBL6171676

C=C(C)CNCCC=CNC(=O)OCCCC

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
ACHE P22303 7/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 3/20 0.37
HPGD P15428 1/20 0.37
EPHX1 P07099 1/20 0.36
ATM Q13315 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
SCHEMBL6171271 0.84 HPGD (0.41) EPHX2ACHETSHRHPGDEPHX1
SCHEMBL6170813 0.81 ACHE (0.39) EPHX2ACHEEPHX1ATM
SCHEMBL2301673 0.76 EPHX2 (0.50) EPHX2EPHX1ATM
SCHEMBL1029105 0.75 EPHX2 (0.64) EPHX2ALDH1A1TSHRHPGDATM
SCHEMBL6571002 0.74 EPHX2 (0.56) EPHX2ALDH1A1HPGDATM
SCHEMBL2946547 0.73 EPHX1 (0.44) ACHEALDH1A1TSHRHPGDEPHX1
SCHEMBL28397108 0.71 EPHX1 (0.48) ACHEALDH1A1TSHRHPGDEPHX1
SCHEMBL7403483 0.71 EPHX1 (0.48) ACHEALDH1A1TSHRHPGDEPHX1
SCHEMBL7458595 0.70 ATM (0.52) ACHEALDH1A1TSHRHPGDEPHX1
SCHEMBL14321822 0.70 HPGD (0.50) ACHEALDH1A1TSHRHPGDEPHX1

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