SCHEMBL23398877

SCHEMBL23398877

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 2/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ TYMP P19971 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ APAF1 O14727 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NOD2 Q9HC29 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL23400682 0.90 TYMP (0.30) TYMP
SCHEMBL23402192 0.89 KDM4E (0.34) DCTPP1KDM4ETYMPALDH1A1LMNA
SCHEMBL23400143 0.89 KDM4E (0.37) DCTPP1KDM4ETYMPALDH1A1LMNA
SCHEMBL23402707 0.84 DCTPP1 (0.32) DCTPP1KDM4ETYMPALDH1A1HPGD
SCHEMBL23400402 0.82 CYP1A2 (0.30) HPGD
SCHEMBL23400620 0.82 PDE4A (0.35) KDM4EALDH1A1LMNAHPGDGAA
SCHEMBL23400976 0.81 KDM4E (0.35) DCTPP1KDM4ETYMPALDH1A1LMNA
SCHEMBL23398983 0.80 KDM4E (0.33) DCTPP1KDM4ETYMPALDH1A1LMNA
SCHEMBL23402619 0.79 NPC1 (0.38) DCTPP1KDM4ETYMPALDH1A1LMNA
SCHEMBL23398894 0.77 — —

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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