SCHEMBL20865323

SCHEMBL20865323

CC(C)C(=O)Nc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ MAPT P10636 2/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ SLC7A5 Q01650 3/20 0.56
▸ PTGS1 P23219 3/20 0.54
▸ ALPI P09923 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ XIAP P98170 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ ITGB3 P05106 1/20 0.49

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
SCHEMBL30037334 0.85 SLC7A5 (0.61) KMT2AALDH1A1MEN1MAPTSLC7A5
SCHEMBL3059437 0.85 SLC7A5 (0.61) KMT2AALDH1A1MEN1MAPTSLC7A5
SCHEMBL4943107 0.85 SLC7A5 (0.61) KMT2AALDH1A1MEN1MAPTSLC7A5
SCHEMBL20865324 0.85 CA12 (0.48) KMT2AALDH1A1MEN1MAPTRXFP1
SCHEMBL25388169 0.84 ALDH1A1 (0.57) KMT2AALDH1A1MEN1MAPTSLC7A5
SCHEMBL25386567 0.84 SLC7A5 (0.56) KMT2AALDH1A1MEN1MAPTSLC7A5
SCHEMBL25388174 0.84 ALDH1A1 (0.57) KMT2AALDH1A1MEN1MAPTSLC7A5
SCHEMBL25386565 0.84 SLC7A5 (0.56) KMT2AALDH1A1MEN1MAPTSLC7A5
SCHEMBL12838404 0.83 SLC7A5 (0.54) KMT2AALDH1A1MEN1MAPTSLC7A5
SCHEMBL1530915 0.83 SLC7A5 (0.54) KMT2AALDH1A1MEN1MAPTSLC7A5

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
WO-2019067543-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-04-04 — — WO disclosed
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