SCHEMBL23401658

SCHEMBL23401658

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

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ TYMP P19971 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ APAF1 O14727 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NOD2 Q9HC29 1/20 0.31
▸ GRM5 P41594 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
SCHEMBL23398984 0.94 PDE4A (0.34) KDM4ENPC1RAB9AFFAR1TYMP
SCHEMBL23399211 0.91 HTT (0.36) KDM4EHTTALDH1A1
SCHEMBL23400482 0.89 KDM4E (0.33) KDM4ENPC1RAB9AFFAR1TYMP
SCHEMBL23402818 0.88 PDE4A (0.34) —
SCHEMBL23401381 0.88 HTT (0.32) HTTGRM5
SCHEMBL23403181 0.88 KDM4E (0.32) KDM4ENPC1RAB9AHTTFFAR1
SCHEMBL23399548 0.87 HTT (0.35) HTTALDH1A1
SCHEMBL23398389 0.86 HTT (0.34) HTTALDH1A1
SCHEMBL23402125 0.85 TYMP (0.35) KDM4ENPC1RAB9AHTTTYMP
SCHEMBL23401953 0.84 PDE4A (0.35) KDM4E

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