SCHEMBL4618671

SCHEMBL4618671

CCCCCCCCCNC(CC(=O)OO)C(=O)CC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.39
NAAA Q02083 1/20 0.36
NOD1 Q9Y239 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CASP2 P42575 1/20 0.35
LMNA P02545 2/20 0.34
FAAH O00519 2/20 0.34

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
SCHEMBL9791156 0.86 EPHX1 (0.40) EPHX1NAAANOD1CA12CA2
SCHEMBL9791127 0.84 EPHX1 (0.39) EPHX1NAAANOD1CA12CA2
SCHEMBL11429917 0.74 ZDHHC7 (0.45) EPHX1NAAANOD1CA12CA2
SCHEMBL11430110 0.74 ZDHHC7 (0.45) EPHX1NAAANOD1CA12CA2
SCHEMBL11429914 0.74 ZDHHC7 (0.45) EPHX1NAAANOD1CA12CA2
SCHEMBL11430107 0.74 ZDHHC7 (0.45) EPHX1NAAANOD1CA12CA2
SCHEMBL27641985 0.73 KMT2A (0.44) EPHX1NAAANOD1FAAH
SCHEMBL27641987 0.73 KMT2A (0.44) EPHX1NAAANOD1FAAH
SCHEMBL29041068 0.72 NOD1 (0.44) EPHX1NOD1CA2CASP2FAAH
SCHEMBL22316560 0.72 NOD1 (0.44) EPHX1NOD1FAAH

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-1885830-A2 DETERGENT COMPOSITIONS AND THEIR USE Unilever PLC (GB) 2008-02-13 EP disclosed
WO-2006128525-A2 DETERGENT COMPOSITIONS AND THEIR USE UNILEVER PLC (GB) 2006-12-07 WO disclosed