SCHEMBL23401812

SCHEMBL23401812

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ TYMP P19971 1/20 0.33
▸ GRM5 P41594 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ DCTPP1 Q9H773 1/20 0.31
▸ SIRT1 Q96EB6 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
SCHEMBL23402934 0.90 HTT (0.32) —
SCHEMBL23403381 0.87 GRM5 (0.31) FFAR1GRM5
SCHEMBL23400049 0.84 TYMP (0.37) KDM4ENPC1RAB9ATYMPALDH1A1
SCHEMBL23401658 0.84 KDM4E (0.32) KDM4ENPC1RAB9AFFAR1TYMP
SCHEMBL23398984 0.84 PDE4A (0.34) KDM4ENPC1RAB9AFFAR1TYMP
SCHEMBL23403009 0.83 TYMP (0.36) KDM4ENPC1RAB9ATYMPALDH1A1
SCHEMBL23403351 0.83 KDM4E (0.32) KDM4EALDH1A1HPGD
SCHEMBL23403029 0.83 TYMP (0.36) KDM4ENPC1RAB9ATYMPALDH1A1
SCHEMBL23398530 0.83 KDM5A (0.31) —
SCHEMBL23401965 0.83 KDM4E (0.33) KDM4ENPC1RAB9AFFAR1TYMP

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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