SCHEMBL23402114

SCHEMBL23402114

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.33
▸ SHMT2 P34897 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ TYMP P19971 1/20 0.32
▸ PKM P14618 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ DCTPP1 Q9H773 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
SCHEMBL23403257 0.90 — —
SCHEMBL23400841 0.83 — —
SCHEMBL23399171 0.80 NPC1 (0.37) FFAR1SHMT2KDM4ETYMPPKM
SCHEMBL23402707 0.79 DCTPP1 (0.32) FFAR1KDM4ETYMPHTTSMN1; SMN2
SCHEMBL23403459 0.79 TYMP (0.34) FFAR1SHMT2KDM4ETYMPPKM
SCHEMBL23398745 0.79 — —
SCHEMBL23400976 0.79 KDM4E (0.35) KDM4ETYMPPKMALDH1A1LMNA
SCHEMBL23403603 0.78 TYMP (0.33) FFAR1SHMT2KDM4ETYMPPKM
SCHEMBL23398703 0.78 TYMP (0.33) FFAR1SHMT2KDM4ETYMPPKM
SCHEMBL23398877 0.78 DCTPP1 (0.34) KDM4ETYMPPKMHTTALDH1A1

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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