SCHEMBL23398654

SCHEMBL23398654

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ DCTPP1 Q9H773 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ TYMP P19971 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 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
SCHEMBL23400083 0.89 GAA (0.34) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23400137 0.86 TYMP (0.34) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23401810 0.82 GAA (0.36) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23399247 0.81 KDM4E (0.32) KDM4E
SCHEMBL23399431 0.81 TYMP (0.33) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23399954 0.81 KDM4E (0.32) KDM4ETYMP
SCHEMBL23403204 0.81 TYMP (0.33) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23401191 0.81 KDM4E (0.32) KDM4ETYMP
SCHEMBL23398911 0.77 GAA (0.40) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23401029 0.77 KDM4E (0.34) ALDH1A1KDM4ENPC1RAB9ADCTPP1

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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