SCHEMBL9791127

SCHEMBL9791127

CCCCCCCCNC(CC(=O)OO)C(=O)OO.[AlH3]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.39
FAAH O00519 1/20 0.37
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
NOD1 Q9Y239 1/20 0.36
ZDHHC7 Q9NXF8 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
MAPT P10636 1/20 0.35
LMNA P02545 1/20 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 0.98 EPHX1 (0.40) EPHX1FAAHNAAADGKANOD1
SCHEMBL4618671 0.84 EPHX1 (0.39) EPHX1FAAHNAAANOD1CA12
SCHEMBL29041068 0.82 NOD1 (0.44) EPHX1FAAHNOD1ZDHHC7CA2
SCHEMBL11429914 0.81 ZDHHC7 (0.45) EPHX1FAAHNAAADGKANOD1
SCHEMBL11430110 0.81 ZDHHC7 (0.45) EPHX1FAAHNAAADGKANOD1
SCHEMBL11429917 0.81 ZDHHC7 (0.45) EPHX1FAAHNAAADGKANOD1
SCHEMBL11430107 0.81 ZDHHC7 (0.45) EPHX1FAAHNAAADGKANOD1
SCHEMBL27641987 0.79 KMT2A (0.44) EPHX1FAAHNAAANOD1
SCHEMBL27641985 0.79 KMT2A (0.44) EPHX1FAAHNAAANOD1
SCHEMBL8182945 0.78 EPHX1 (0.39) EPHX1FAAHNOD1ZDHHC7CASP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5066487-A Antiperspirant RHONE-POULENC CHIMIE (FR) 1991-11-19 US disclosed