SCHEMBL23402707

SCHEMBL23402707

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

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ RGS4 P49798 1/20 0.31
▸ RGS8 P57771 1/20 0.31
▸ TYMP P19971 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
SCHEMBL23400998 0.91 SMN1; SMN2 (0.33) PDE2APDE1APDE1BPDE1CMEN1
SCHEMBL23398877 0.84 DCTPP1 (0.34) DCTPP1ALDH1A1HPGDHTTKDM4E
SCHEMBL23399124 0.84 SMN1; SMN2 (0.34) PDE2APDE1APDE1BPDE1CMEN1
SCHEMBL23400143 0.83 KDM4E (0.37) DCTPP1MEN1ALDH1A1HPGDKMT2A
SCHEMBL23402192 0.83 KDM4E (0.34) DCTPP1ALDH1A1HPGDHTTKDM4E
SCHEMBL23401913 0.81 SMN1; SMN2 (0.34) PDE2APDE1APDE1BPDE1CMEN1
SCHEMBL23398495 0.81 NPC1 (0.35) DCTPP1MEN1ALDH1A1POLBMAPT
SCHEMBL23400921 0.80 ALDH1A1 (0.33) DCTPP1MEN1ALDH1A1POLBMAPT
SCHEMBL23400766 0.80 ALDH1A1 (0.33) DCTPP1MEN1ALDH1A1POLBMAPT
SCHEMBL23402114 0.79 FFAR1 (0.33) DCTPP1ALDH1A1MAPTHPGDHTT

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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