SCHEMBL23398887

SCHEMBL23398887

Cc1cccc(-c2[nH]n(CC(C)C)c(=O)c2C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ICMT O60725 1/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ MAPK14 Q16539 4/20 0.33
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CASP3 P42574 1/20 0.32

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
SCHEMBL23402929 0.87 ALDH1A1 (0.38) ALDH1A1KMT2APOLBSMN1; SMN2MEN1
SCHEMBL23399666 0.85 ALDH1A1 (0.41) ALDH1A1KMT2APOLBSMN1; SMN2MEN1
SCHEMBL23400941 0.84 ALDH1A1 (0.35) ALDH1A1KMT2APOLBSMN1; SMN2MEN1
SCHEMBL23401094 0.84 KDM4E (0.37) ALDH1A1KMT2AMEN1HPGDMAPK14
SCHEMBL23400053 0.81 KMT2A (0.43) ALDH1A1KMT2AMEN1HPGDMAPK14
SCHEMBL23398838 0.81 ALDH1A1 (0.36) ALDH1A1KMT2APOLBSMN1; SMN2MEN1
SCHEMBL23400715 0.81 ALKBH3 (0.41) ALDH1A1KMT2APOLBSMN1; SMN2MEN1
SCHEMBL23398617 0.81 ALDH1A1 (0.36) ALDH1A1KMT2APOLBSMN1; SMN2MEN1
SCHEMBL23400558 0.81 ALDH1A1 (0.38) ALDH1A1KMT2APOLBSMN1; SMN2MEN1
SCHEMBL23399884 0.79 ALDH1A1 (0.40) ALDH1A1KMT2APOLBMEN1MAPK1

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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