SCHEMBL23398584

SCHEMBL23398584

CCCCc1[nH]n(C(C)C)c(=O)c1C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ DCTPP1 Q9H773 1/20 0.32
▸ SHMT2 P34897 1/20 0.31
▸ TYMP P19971 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL23403459 0.86 TYMP (0.34) KDM4ENPC1RAB9ADCTPP1SHMT2
SCHEMBL23401921 0.82 ALDH1A1 (0.30) —
SCHEMBL23398703 0.81 TYMP (0.33) KDM4ENPC1RAB9ADCTPP1SHMT2
SCHEMBL23400643 0.81 TYMP (0.30) TYMP
SCHEMBL23402883 0.81 TYMP (0.30) TYMP
SCHEMBL23402457 0.79 GRM5 (0.31) —
SCHEMBL23403603 0.78 TYMP (0.33) KDM4ENPC1RAB9ADCTPP1SHMT2
SCHEMBL23399171 0.77 NPC1 (0.37) KDM4ENPC1RAB9ADCTPP1SHMT2
SCHEMBL23400276 0.77 — —
SCHEMBL23401029 0.77 KDM4E (0.34) KDM4ENPC1RAB9ADCTPP1TYMP

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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