SCHEMBL23402202

SCHEMBL23402202

CCc1c(C)[nH]n(C(C)(C)C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ GAA P10253 4/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MAPT P10636 3/20 0.35
▸ HPGD P15428 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ FPR1 P21462 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ PTPN5 P54829 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL23401209 0.85 KDM4E (0.43) ALDH1A1GAACYP2C19CYP2C9MEN1
SCHEMBL23398911 0.83 GAA (0.40) ALDH1A1GAACYP2C19CYP2C9MEN1
SCHEMBL23401467 0.80 GAA (0.33) ALDH1A1GAACYP2C19CYP2C9MEN1
SCHEMBL23398561 0.79 GAA (0.40) ALDH1A1GAACYP2C19CYP2C9MEN1
SCHEMBL23400790 0.78 GAA (0.32) ALDH1A1GAACYP2C19CYP2C9MEN1
SCHEMBL23402960 0.76 LMNA (0.31) ALDH1A1GAACYP2C19CYP2C9MEN1
SCHEMBL23398609 0.76 GAA (0.30) ALDH1A1GAACYP2C19CYP2C9MEN1
SCHEMBL23399688 0.74 GAA (0.47) ALDH1A1GAACYP2C19CYP2C9MEN1
SCHEMBL23401416 0.72 ALDH1A1 (0.37) ALDH1A1GAACYP2C19MEN1KMT2A
SCHEMBL23399878 0.71 ALDH1A1 (0.36) ALDH1A1GAACYP2C19MEN1KMT2A

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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