SCHEMBL19960609

SCHEMBL19960609

CCCCCC(=O)NCCCCCCNC(C)O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.62
FAAH O00519 6/20 0.60
NAAA Q02083 1/20 0.59
DNM1 Q05193 2/20 0.57
EPHX2 P34913 3/20 0.55
SLC6A5 Q9Y345 2/20 0.54
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
EPHX1 P07099 3/20 0.49

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
SCHEMBL28455984 0.97 FAAH (0.60) CASP2FAAHNAAADNM1EPHX2
SCHEMBL28881094 0.97 FAAH (0.60) CASP2FAAHNAAADNM1EPHX2
SCHEMBL8640203 0.92 FAAH (0.59) CASP2FAAHNAAADNM1EPHX2
SCHEMBL6399330 0.92 FAAH (0.59) CASP2FAAHNAAADNM1EPHX2
SCHEMBL29302109 0.88 CASP2 (0.65) CASP2FAAHNAAADNM1EPHX2
SCHEMBL29300290 0.88 CASP2 (0.65) CASP2FAAHNAAADNM1EPHX2
SCHEMBL23775006 0.86 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2
SCHEMBL11175734 0.86 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2
SCHEMBL21633848 0.86 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2
SCHEMBL22271678 0.86 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2

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
WO-2018048928-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed