SCHEMBL23403181

SCHEMBL23403181

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

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 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 0.32
▸ RGS4 P49798 1/20 0.31
▸ RGS8 P57771 1/20 0.31
▸ TYMP P19971 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
SCHEMBL23400921 0.91 ALDH1A1 (0.33) KDM4ENPC1RAB9AMEN1ALDH1A1
SCHEMBL23401951 0.91 MEN1 (0.33) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23401231 0.89 ALDH1A1 (0.33) KDM4ENPC1RAB9AMEN1ALDH1A1
SCHEMBL23402360 0.89 ALDH1A1 (0.33) KDM4ENPC1RAB9AMEN1ALDH1A1
SCHEMBL23400482 0.89 KDM4E (0.33) KDM4ENPC1RAB9AFFAR1TYMP
SCHEMBL23401459 0.88 MEN1 (0.32) MEN1ALDH1A1POLBMAPTHPGD
SCHEMBL23398984 0.88 PDE4A (0.34) KDM4ENPC1RAB9AMEN1ALDH1A1
SCHEMBL23401658 0.88 KDM4E (0.32) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL23401351 0.86 ALDH1A1 (0.33) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL23399072 0.84 ALDH1A1 (0.35) KDM4EMEN1ALDH1A1POLBMAPT

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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