SCHEMBL23402014

SCHEMBL23402014

CCc1c(-c2cccc(C)c2)[nH]n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPK14 Q16539 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
NOTUM Q6P988 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP2 O95551 1/20 0.36
THRB P10828 1/20 0.36
DAO P14920 1/20 0.35
CDC7 O00311 1/20 0.35

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
SCHEMBL23402573 0.89 CYBB (0.44) ALDH1A1MAPK14KDM4EPOLBNOTUM
SCHEMBL23402058 0.87 KDM4E (0.43) ALDH1A1MAPK14KDM4EKMT2ADAO
SCHEMBL23398414 0.85 ALDH1A1 (0.38) ALDH1A1MAPK14NPC1RAB9AKDM4E
SCHEMBL23402634 0.85 KMT2A (0.38) ALDH1A1MAPK14NPC1RAB9AKDM4E
SCHEMBL23399430 0.84 MAPK14 (0.40) ALDH1A1MAPK14NPC1RAB9AKDM4E
SCHEMBL23399055 0.83 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL23400450 0.82 KMT2A (0.48) ALDH1A1MAPK14NPC1RAB9AKDM4E
SCHEMBL23402798 0.82 POLB (0.38) ALDH1A1MAPK14NPC1RAB9AKDM4E
SCHEMBL23403190 0.81 ADORA2A (0.40) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL23401049 0.81 MAPK14 (0.41) ALDH1A1MAPK14NPC1RAB9AKDM4E

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