SCHEMBL23401933

SCHEMBL23401933

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.35
▸ KDM4E B2RXH2 5/20 0.33
▸ PKM P14618 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ DCTPP1 Q9H773 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ APAF1 O14727 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NOD2 Q9HC29 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ ATM Q13315 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
SCHEMBL23398774 0.95 TYMP (0.36) TYMPKDM4EPKMNPC1RAB9A
SCHEMBL23398959 0.93 TYMP (0.32) TYMPKDM4EPKMNPC1RAB9A
SCHEMBL23401863 0.89 TYMP (0.35) TYMPKDM4EPKMNPC1RAB9A
SCHEMBL23400141 0.88 PDE4A (0.37) TYMPKDM4EPKMNPC1RAB9A
SCHEMBL23402174 0.88 TYMP (0.34) TYMPKDM4EPKMNPC1RAB9A
SCHEMBL23403575 0.86 TYMP (0.32) TYMPKDM4EPKMNPC1RAB9A
SCHEMBL23401727 0.85 — —
SCHEMBL23402360 0.83 ALDH1A1 (0.33) TYMPKDM4EPKMNPC1RAB9A
SCHEMBL23402125 0.82 TYMP (0.35) TYMPKDM4EPKMNPC1RAB9A
SCHEMBL23401052 0.82 PDE4A (0.38) TYMPKDM4EPKMNPC1RAB9A

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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