SCHEMBL23399643

SCHEMBL23399643

CCc1c(-c2ccccc2)[nH]n(CC)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.44
NOX4 Q9NPH5 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM5B Q9UGL1 1/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAT2A P31153 2/20 0.39
PLA2G10 O15496 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL23403138 0.87 MEN1 (0.46) CYBBNOX4NOX1NPC1RAB9A
SCHEMBL23400665 0.87 CYBB (0.58) CYBBNOX4NOX1NPC1RAB9A
SCHEMBL23401104 0.85 RAB9A (0.36) CYBBNOX4NOX1NPC1RAB9A
SCHEMBL23401940 0.84 CYBB (0.49) CYBBNOX4NOX1NPC1RAB9A
SCHEMBL23403203 0.84 ALDH1A1 (0.42) CYBBNOX4NOX1NPC1RAB9A
SCHEMBL23403309 0.84 MEN1 (0.57) CYBBNOX4NOX1NPC1RAB9A
SCHEMBL23399430 0.83 MAPK14 (0.40) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL23399658 0.81 KDM4E (0.44) CYBBNOX4NOX1NPC1RAB9A
SCHEMBL23398953 0.81 MAT2A (0.46) CYBBNOX4NOX1MEN1KMT2A
SCHEMBL23399055 0.81 ALDH1A1 (0.53) CYBBNOX4NOX1NPC1RAB9A

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed