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Sugi Predict / Compounds / SCHEMBL21101114

SCHEMBL21101114

SCHEMBL21101114

CCCCCCCCCCCC(=O)NCCCC[N+](C)(C)CC(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP2 P42575 1/20 0.53
▸ FAAH O00519 4/20 0.51
▸ NAAA Q02083 1/20 0.50
▸ DNM1 Q05193 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ EPHX2 P34913 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ SLC6A5 Q9Y345 2/20 0.47
▸ EPHX1 P07099 1/20 0.45

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
SCHEMBL17244840 0.96 FAAH (0.53) CASP2FAAHNAAADNM1L3MBTL1
SCHEMBL27482156 0.96 FAAH (0.53) CASP2FAAHNAAADNM1L3MBTL1
SCHEMBL19655478 0.89 EPHX2 (0.59) EPHX2ALDH1A1SLC6A5
SCHEMBL25912166 0.86 FAAH (0.51) CASP2FAAHNAAADNM1L3MBTL1
SCHEMBL15372752 0.85 HTT (0.52) DNM1
SCHEMBL15372782 0.85 HTT (0.52) DNM1
SCHEMBL18632661 0.84 CASP2 (0.54) CASP2FAAHNAAADNM1EPHX2
SCHEMBL24008629 0.84 EPHX2 (0.55) CASP2FAAHNAAADNM1EPHX2
SCHEMBL31471628 0.84 FAAH (0.62) CASP2FAAHNAAADNM1EPHX2
SCHEMBL28339504 0.84 FAAH (0.62) 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
EP-3495433-A1 CONDUCTIVE POLYMER COMPOSITION, COATED ARTICLE, AND PATTERNING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2019-06-12 — — EP disclosed