SCHEMBL7275364

SCHEMBL7275364

N=C(N)Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.62
CA1 P00915 3/20 0.62
PTPN1 P18031 2/20 0.61
ACE P12821 2/20 0.55
FPR2 P25090 8/20 0.54
MMP9 P14780 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL8058939 0.95 PTPN1 (0.57) CA2CA1PTPN1ACEFPR2
SCHEMBL10590066 0.90 CYP1A2 (0.53) CA2CA1PTPN1ACEFPR2
Hydrochloric Acid SCHEMBL10590762 0.89 MMP9 (0.54) CA2CA1PTPN1ACEFPR2
SCHEMBL10581452 0.89 PTPN1 (0.51) CA2CA1PTPN1ALDH1A1KMT2A
SCHEMBL5163894 0.88 CYP1A2 (0.55) CA2CA1
SCHEMBL7378190 0.86 ITGB3 (0.57) PTPN1ACEMMP9KMT2A
SCHEMBL7378185 0.86 ITGB3 (0.57) PTPN1ACEMMP9KMT2A
SCHEMBL6409267 0.83 USP30 (0.55) ALDH1A1KMT2A
SCHEMBL10590070 0.82 CYP1A2 (0.53) CA2CA1PTPN1ACEALDH1A1
SCHEMBL10583592 0.82 LMNA (0.53) CA2CA1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4954512-A Anti-ulcer composition Okamoto, Shosuke (JP) 1990-09-04 US disclosed
EP-0317959-A2 Anti-ulcer composition Okamoto, Shosuke (JP) 1989-05-31 EP disclosed
EP-0298135-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1989-01-11 EP disclosed