SCHEMBL23403203

SCHEMBL23403203

CCc1c(-c2ccccc2)[nH]n(CC(C)C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CYBB P04839 1/20 0.40
▸ NOX4 Q9NPH5 1/20 0.40
▸ NOX1 Q9Y5S8 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ KDM4E B2RXH2 2/20 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
SCHEMBL23400499 0.89 CYBB (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL23403217 0.88 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL23401882 0.87 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL23402354 0.86 CYBB (0.45) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL23398838 0.85 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL23399643 0.84 CYBB (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL23403138 0.82 MEN1 (0.46) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL23399788 0.82 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL23400258 0.82 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL23399949 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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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