SCHEMBL23401782

SCHEMBL23401782

CCCc1c(C)[nH]n(CC(C)C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GAA P10253 2/20 0.33
▸ DCTPP1 Q9H773 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
SCHEMBL23398495 0.92 NPC1 (0.35) KDM4ESMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL23402092 0.86 ALDH1A1 (0.36) KDM4ESMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL23400815 0.83 MEN1 (0.35) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23403682 0.83 MEN1 (0.35) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23403674 0.82 SMN1; SMN2 (0.36) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL10878921 0.82 KDM4E (0.41) KDM4ESMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL23402886 0.81 MEN1 (0.34) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23400100 0.80 KDM4E (0.40) KDM4ESMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL23401951 0.80 MEN1 (0.33) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23402360 0.79 ALDH1A1 (0.33) KDM4ESMN1; SMN2MEN1ALDH1A1POLB

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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