SCHEMBL23398795

SCHEMBL23398795

Cc1ccc(-c2c(-c3ccccc3)[nH]n(CC(C)C)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALKBH3 Q96Q83 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ DPP4 P27487 4/20 0.40
▸ MAT2A P31153 6/20 0.40
▸ GAA P10253 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ SLC11A2 P49281 1/20 0.36
▸ PSD A5PKW4 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL23398812 1.00 ALKBH3 (0.43) ALKBH3SMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23398510 0.94 ALDH1A1 (0.40) ALKBH3SMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23400258 0.93 SMN1; SMN2 (0.47) ALKBH3SMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23402777 0.88 ALKBH3 (0.38) ALKBH3SMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23400715 0.87 ALKBH3 (0.41) ALKBH3SMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23402118 0.85 ALKBH3 (0.45) ALKBH3SMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23401938 0.85 ALKBH3 (0.45) ALKBH3SMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23403527 0.82 ALKBH3 (0.44) ALKBH3SMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23401574 0.82 ALKBH3 (0.44) ALKBH3SMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23403685 0.81 ALDH1A1 (0.39) ALKBH3SMN1; SMN2ALDH1A1MEN1POLB

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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