SCHEMBL3423504

SCHEMBL3423504

Cc1cccc(C)c1N(C(=O)c1ccon1)C(C)(C)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
PLA2G1B P04054 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
S1PR4 O95977 1/20 0.32
RAPGEF3 O95398 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
OPRM1 P35372 1/20 0.30
RAB9A P51151 2/20 0.30
POLB P06746 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL6076551 0.76 OPRM1 (0.45) MEN1HTTKMT2ANPSR1S1PR4
SCHEMBL852239 0.75 KMT2A (0.44) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL3423502 0.69 MEN1 (0.57) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL3689800 0.69 ALDH1A1 (0.45) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL11408368 0.69 ALDH1A1 (0.33) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL9512940 0.68 HSD17B1 (0.51) ALDH1A1
SCHEMBL108204 0.68 POLB (0.42) POLB
SCHEMBL11112769 0.68 MEN1 (0.35) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL2831671 0.67 KMT2A (0.36) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL2362735 0.66 CHRNA4 (0.39) MEN1KMT2ARAPGEF3RAPGEF4ALDH1A1

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-2153720-A1 Fungicide mixtures comprising formate LANXESS Distribution GmbH (DE) 2010-02-17 EP claimed