SCHEMBL5249094

SCHEMBL5249094

CCc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.72
▸ CA2 P00918 5/20 0.65
▸ CA1 P00915 3/20 0.65
▸ CA12 O43570 1/20 0.62
▸ CA9 Q16790 1/20 0.62
▸ ACE P12821 2/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ GAA P10253 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ CTSL P07711 2/20 0.56
▸ CTSS P25774 2/20 0.56
▸ CTSK P43235 2/20 0.56
▸ CTSB P07858 1/20 0.55
▸ GPR132 Q9UNW8 1/20 0.55

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
SCHEMBL16770420 0.95 PTPN1 (0.66) PTPN1CA2CA1CA12CA9
SCHEMBL3995785 0.94 PTPN1 (0.65) PTPN1CA2CA1CA12CA9
SCHEMBL111236 0.88 ACE (0.76) PTPN1CA2CA1ACEL3MBTL1
SCHEMBL528464 0.88 ACE (0.76) PTPN1CA2CA1ACEL3MBTL1
SCHEMBL111235 0.88 ACE (0.76) PTPN1CA2CA1ACEL3MBTL1
SCHEMBL10526607 0.87 PTPN1 (0.70) PTPN1CA2CA1CA12CA9
SCHEMBL4682004 0.87 PTPN1 (0.70) PTPN1CA2CA1CA12CA9
SCHEMBL4166657 0.87 PTPN1 (0.70) PTPN1CA2CA1CA12CA9
SCHEMBL2632872 0.86 PTPN1 (0.74) PTPN1CA2CA1CA12CA9
SCHEMBL8196220 0.86 PTPN1 (0.74) PTPN1CA2CA1CA12CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334962-B1 PROCESS FOR THE PREPARATION OF ACYLPHENYLALANINES AJINOMOTO KK (JP) 2007-09-19 — — EP disclosed
US-RE34878-E Hypoglycemic agent AJINOMOTO CO., INC. (JP) 1995-03-14 — — US disclosed
EP-0196222-B1 HYPOGLYCEMIC AGENT AJINOMOTO CO., INC. (JP) 1992-01-29 — — EP disclosed
US-4816484-A D-PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 1989-03-28 — — US disclosed
EP-0196222-A2 Hypoglycemic agent AJINOMOTO CO., INC. (JP) 1986-10-01 — — EP disclosed
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