SCHEMBL20599306

SCHEMBL20599306

CCCCCCCCNC(CCC)(C(=O)[O-])[N+](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.39
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37
CASP2 P42575 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
SCHEMBL3112719 1.00 EPHX1 (0.39) EPHX1CPT2CPT1ACPT1BCASP2
SCHEMBL7948658 0.91 NAAA (0.39) EPHX1CPT2CPT1ACPT1B
SCHEMBL7942177 0.91 NAAA (0.39) EPHX1CPT2CPT1ACPT1B
SCHEMBL7948660 0.91 NAAA (0.39) EPHX1CPT2CPT1ACPT1B
SCHEMBL7949656 0.91 NAAA (0.39) EPHX1CPT2CPT1ACPT1B
SCHEMBL7942028 0.91 NAAA (0.39) EPHX1CPT2CPT1ACPT1B
SCHEMBL7954040 0.91 NAAA (0.39) EPHX1CPT2CPT1ACPT1B
SCHEMBL7948604 0.91 NAAA (0.39) EPHX1CPT2CPT1ACPT1B
SCHEMBL7950303 0.91 NAAA (0.39) EPHX1CPT2CPT1ACPT1B
SCHEMBL23877895 0.89 EPHX1 (0.40) EPHX1CPT2CPT1ACPT1BCASP2

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-20190002806-A1 CLEANING TABLET FOR DECANTERS CLARO PRODUCTS GMBH (AT) 2019-01-03 US disclosed