SCHEMBL23402619

SCHEMBL23402619

CCCCc1c(C)[nH]n(CC)c1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.37
▸ TYMP P19971 2/20 0.37
▸ DCTPP1 Q9H773 2/20 0.37
▸ PKM P14618 1/20 0.35
▸ GAA P10253 3/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ APAF1 O14727 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL23400751 0.87 PDE4A (0.38) NPC1RAB9AKDM4ETYMPDCTPP1
SCHEMBL23398946 0.87 NPC1 (0.38) NPC1RAB9AKDM4ETYMPDCTPP1
SCHEMBL23398774 0.83 TYMP (0.36) NPC1RAB9AKDM4ETYMPDCTPP1
SCHEMBL23398495 0.82 NPC1 (0.35) NPC1RAB9AKDM4ETYMPDCTPP1
SCHEMBL23399878 0.82 ALDH1A1 (0.36) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL23398883 0.81 KDM4E (0.39) NPC1RAB9AKDM4ETYMPDCTPP1
SCHEMBL11221065 0.81 KDM4E (0.41) KDM4ETYMPMEN1KMT2A
SCHEMBL23401863 0.81 TYMP (0.35) NPC1RAB9AKDM4ETYMPDCTPP1
SCHEMBL23401933 0.81 TYMP (0.35) NPC1RAB9AKDM4ETYMPDCTPP1
SCHEMBL23402748 0.80 TYMP (0.34) NPC1RAB9AKDM4ETYMPDCTPP1

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
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