SCHEMBL23402174

SCHEMBL23402174

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.34
▸ KDM4E B2RXH2 7/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ DCTPP1 Q9H773 1/20 0.32
▸ PDE4A P27815 2/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ MEN1 O00255 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
SCHEMBL23402125 0.95 TYMP (0.35) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23401698 0.93 ALDH1A1 (0.32) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23400141 0.93 PDE4A (0.37) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23400838 0.90 TYMP (0.34) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23401751 0.88 PDE4A (0.38) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23401052 0.88 PDE4A (0.38) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23401933 0.88 TYMP (0.35) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23398726 0.86 PDE4A (0.37) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23403132 0.86 SMN1; SMN2 (0.33) TYMPKDM4EALDH1A1LMNAHPGD
SCHEMBL23398409 0.86 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2A

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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