SCHEMBL23400862

SCHEMBL23400862

Cc1cccc(-c2[nH]n(C(C)C)c(=O)c2-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALKBH3 Q96Q83 1/20 0.44
▸ MAT2A P31153 8/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ GAA P10253 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL23402357 0.93 ALKBH3 (0.40) ALKBH3MAT2AKMT2AMEN1ALDH1A1
SCHEMBL23402957 0.87 MAT2A (0.46) ALKBH3MAT2AGAAHTTALOX15
SCHEMBL23399214 0.86 ALKBH3 (0.45) ALKBH3MAT2AGAAHTTALOX15
SCHEMBL23398738 0.86 ALKBH3 (0.45) ALKBH3MAT2AGAAHTTALOX15
SCHEMBL23399769 0.84 ALDH1A1 (0.40) ALKBH3KMT2AMEN1MAPTNPC1
SCHEMBL23399721 0.81 ALKBH3 (0.46) ALKBH3MAT2AKMT2AGAAMEN1
SCHEMBL23400715 0.80 ALKBH3 (0.41) ALKBH3MAT2AKMT2AGAAMEN1
SCHEMBL23400558 0.80 ALDH1A1 (0.38) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL23402487 0.79 ALKBH3 (0.38) ALKBH3MAT2AKMT2AGAAMEN1
SCHEMBL23402977 0.79 GAA (0.40) ALKBH3MAT2AKMT2AGAAMEN1

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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