SCHEMBL23398495

SCHEMBL23398495

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ DCTPP1 Q9H773 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RGS4 P49798 1/20 0.33
▸ RGS8 P57771 1/20 0.33
▸ TYMP P19971 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ PKM P14618 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
SCHEMBL23401782 0.92 KDM4E (0.38) KDM4EMEN1KMT2ADCTPP1ALDH1A1
SCHEMBL23400921 0.85 ALDH1A1 (0.33) NPC1RAB9AKDM4EFFAR1MEN1
SCHEMBL23400766 0.85 ALDH1A1 (0.33) KDM4EFFAR1MEN1KMT2ADCTPP1
SCHEMBL23402092 0.84 ALDH1A1 (0.36) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL23401231 0.84 ALDH1A1 (0.33) NPC1RAB9AKDM4EFFAR1MEN1
SCHEMBL23402360 0.84 ALDH1A1 (0.33) NPC1RAB9AKDM4EFFAR1MEN1
SCHEMBL23403181 0.83 KDM4E (0.32) NPC1RAB9AGRM5KDM4EFFAR1
SCHEMBL23402619 0.82 NPC1 (0.38) NPC1RAB9AGRM5KDM4EMEN1
SCHEMBL23398946 0.81 NPC1 (0.38) NPC1RAB9AGRM5KDM4EMEN1
SCHEMBL23403674 0.81 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1POLBMAPT

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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