SCHEMBL23399072

SCHEMBL23399072

CCc1c(CC(C)C)[nH]n(CC(C)C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ FBP1 P09467 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL23402316 0.89 SMN1; SMN2 (0.36) ALDH1A1HPGDMEN1POLBMAPT
SCHEMBL23401687 0.89 SMN1; SMN2 (0.36) ALDH1A1HPGDMEN1POLBMAPT
SCHEMBL23400135 0.88 KDM4E (0.31) ALDH1A1HPGDKDM4E
SCHEMBL23401951 0.87 MEN1 (0.33) ALDH1A1HPGDMEN1POLBMAPT
SCHEMBL23400165 0.86 MEN1 (0.35) ALDH1A1HPGDMEN1POLBMAPT
SCHEMBL23398640 0.85 KMT2A (0.34) ALDH1A1HPGDMEN1POLBMAPT
SCHEMBL23398389 0.85 HTT (0.34) ALDH1A1HTTSMN1; SMN2
SCHEMBL23403181 0.84 KDM4E (0.32) ALDH1A1HPGDMEN1POLBMAPT
SCHEMBL23400440 0.82 ALDH1A1 (0.33) ALDH1A1HPGDMEN1POLBMAPT
SCHEMBL23401051 0.82 PDE4A (0.35) MEN1KMT2AKDM4E

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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