SCHEMBL23398951

SCHEMBL23398951

CCn1[nH]c(-c2cccc(C)c2)c(CC(C)C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.38
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
THRB P10828 1/20 0.33
KMT2A Q03164 3/20 0.33
NOTUM Q6P988 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 2/20 0.32
CDC7 O00311 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
TYMP P19971 1/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL23402928 0.90 KDM4E (0.35) MAPK14ALDH1A1POLBMAPK1THRB
SCHEMBL23398617 0.90 ALDH1A1 (0.36) MAPK14ALDH1A1POLBMAPK1THRB
SCHEMBL23398634 0.88 MEN1 (0.41) MAPK14ALDH1A1POLBMAPK1KMT2A
SCHEMBL23399430 0.87 MAPK14 (0.40) MAPK14ALDH1A1POLBTHRBKMT2A
SCHEMBL23398414 0.84 ALDH1A1 (0.38) MAPK14ALDH1A1POLBMAPK1THRB
SCHEMBL23399574 0.84 CYBB (0.43) MAPK14ALDH1A1THRBKMT2ANOTUM
SCHEMBL23401807 0.84 ADORA2A (0.34) ALDH1A1POLBKMT2AKDM4EMEN1
SCHEMBL23399423 0.83 ALDH1A1 (0.37) MAPK14ALDH1A1POLBMAPK1THRB
SCHEMBL23398838 0.82 ALDH1A1 (0.36) MAPK14ALDH1A1POLBMAPK1THRB
SCHEMBL23398773 0.81 MAPK14 (0.42) MAPK14ALDH1A1KMT2ANOTUMKDM4E

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