SCHEMBL23401029

SCHEMBL23401029

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.34
▸ DCTPP1 Q9H773 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.33
▸ TYMP P19971 1/20 0.33
▸ HPD P32754 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ DAO P14920 1/20 0.31
▸ PDE4A P27815 3/20 0.30
▸ ADORA2A P29274 3/20 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
SCHEMBL23399670 0.88 PDE4A (0.32) KDM4ENPC1RAB9AHPDMAPT
SCHEMBL23400049 0.85 TYMP (0.37) KDM4EDCTPP1NPC1RAB9ASIRT1
SCHEMBL23399506 0.81 KDM4E (0.34) KDM4EDCTPP1NPC1RAB9ASIRT1
SCHEMBL23403478 0.81 PDE4A (0.38) KDM4EDCTPP1NPC1RAB9ASIRT1
SCHEMBL23399499 0.79 MEN1 (0.33) KDM4EALDH1A1ALOX5
SCHEMBL23403009 0.79 TYMP (0.36) KDM4EDCTPP1NPC1RAB9ASIRT1
SCHEMBL23403029 0.79 TYMP (0.36) KDM4EDCTPP1NPC1RAB9ASIRT1
SCHEMBL23403194 0.79 KDM4E (0.33) KDM4EDCTPP1NPC1RAB9ATYMP
SCHEMBL23401616 0.79 KDM4E (0.33) KDM4EDCTPP1NPC1RAB9ATYMP
SCHEMBL23399984 0.79 TYMP (0.33) KDM4EDCTPP1NPC1RAB9ATYMP

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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