SCHEMBL23403029

SCHEMBL23403029

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.36
▸ KDM4E B2RXH2 4/20 0.34
▸ PKM P14618 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ DCTPP1 Q9H773 2/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ HPD P32754 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ ATM Q13315 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
SCHEMBL23400049 0.91 TYMP (0.37) TYMPKDM4EPKMALDH1A1LMNA
SCHEMBL23403009 0.89 TYMP (0.36) TYMPKDM4EPKMALDH1A1LMNA
SCHEMBL23399703 0.89 POLB (0.33) TYMPKDM4E
SCHEMBL23399984 0.85 TYMP (0.33) TYMPKDM4EPKMALDH1A1LMNA
SCHEMBL23403194 0.85 KDM4E (0.33) TYMPKDM4EPKMALDH1A1LMNA
SCHEMBL23401812 0.83 KDM4E (0.33) TYMPKDM4EPKMALDH1A1LMNA
SCHEMBL23400838 0.82 TYMP (0.34) TYMPKDM4EPKMALDH1A1LMNA
SCHEMBL23402867 0.82 PDE4A (0.37) TYMPKDM4EPKMALDH1A1LMNA
SCHEMBL23401585 0.82 MEN1 (0.33) KDM4EALDH1A1HPGDALOX5
SCHEMBL23400903 0.81 NPC1 (0.39) TYMPKDM4EPKMALDH1A1LMNA

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
Send feedback