SCHEMBL23401616

SCHEMBL23401616

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.33
DCTPP1 Q9H773 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TYMP P19971 1/20 0.33
HTT P42858 2/20 0.32
APAF1 O14727 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
NOD2 Q9HC29 1/20 0.32
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
ATM Q13315 1/20 0.31
DAO P14920 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
SCHEMBL23400317 0.89
SCHEMBL23399506 0.87 KDM4E (0.34) KDM4EDCTPP1NPC1RAB9ATYMP
SCHEMBL23403478 0.87 PDE4A (0.38) KDM4EDCTPP1NPC1RAB9ATYMP
SCHEMBL23398774 0.85 TYMP (0.36) KDM4EDCTPP1NPC1RAB9ATYMP
SCHEMBL23399752 0.83 ALDH1A1 (0.33) KDM4EDCTPP1NPC1RAB9AHTT
SCHEMBL23403594 0.80 HSD17B10 (0.31)
SCHEMBL23398959 0.80 TYMP (0.32) KDM4EDCTPP1NPC1RAB9ATYMP
SCHEMBL23403575 0.80 TYMP (0.32) KDM4EDCTPP1NPC1RAB9ATYMP
SCHEMBL23401863 0.80 TYMP (0.35) KDM4EDCTPP1NPC1RAB9ATYMP
SCHEMBL23402243 0.80 PDE4A (0.38) KDM4ENPC1RAB9AALDH1A1LMNA

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