SCHEMBL18901113

SCHEMBL18901113

CC(C)(C)c1ccc(CO)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ MAPT P10636 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ KLF10 Q13118 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP2D6 P10635 2/20 0.41
▸ ANO1 Q5XXA6 1/20 0.40
▸ SCN10A Q9Y5Y9 2/20 0.37
▸ EPHX2 P34913 3/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL31273837 1.00 ALDH1A1 (0.57) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL840783 0.83 ALDH1A1 (0.55) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL9505783 0.83 ALDH1A1 (0.55) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL18392736 0.82 ALDH1A1 (0.53) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL22275799 0.81 KLF10 (0.53) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL19037781 0.80 KLF10 (0.44) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL5102965 0.80 ALDH1A1 (0.50) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL7979494 0.79 KLF10 (0.47) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL1447610 0.79 KLF10 (0.47) ALDH1A1MAPTMEN1GAAPKM
SCHEMBL4624085 0.78 KLF10 (0.47) ALDH1A1MAPTMEN1GAAPKM

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-2274983-B1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-05-31 — — EP disclosed
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