SCHEMBL7546953

SCHEMBL7546953

CCOC(=O)Cc1ccc(N)cc1.N=C(N)Nc1ccc(C(=O)N[C@@H](Cc2cccc(Oc3ccccc3)c2)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
F10 P00742 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
F2 P00734 3/20 0.41
F7 P08709 2/20 0.41
CA2 P00918 2/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
GPR132 Q9UNW8 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL10583592 0.85 LMNA (0.53) SMN1; SMN2MAPTLMNARAB9ACA2
Hydrochloric Acid SCHEMBL10590762 0.78 MMP9 (0.54) ACERAB9ANPC1CA2PTPN1
SCHEMBL7439848 0.78 F10 (0.55) MMEACECPA1ACE2F10
SCHEMBL7439860 0.78 F10 (0.55) MMEACECPA1ACE2F10
SCHEMBL10590066 0.77 CYP1A2 (0.53) ACERAB9ANPC1CA2PTPN1
SCHEMBL7275364 0.76 CA2 (0.62) ACECA2MEN1KMT2APTPN1
SCHEMBL10816310 0.74 GPR132 (0.66) MMEACECPA1ACE2SMN1; SMN2
SCHEMBL7441461 0.73 PLAU (0.48) F10MAPTRAB9APOLBF2
SCHEMBL8058939 0.73 PTPN1 (0.57) ACECA2PTPN1FPR2
Hydrochloric Acid SCHEMBL7540342 0.73 FFAR1 (0.50) MMEACECPA1ACE2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4873253-A Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1989-10-10 US disclosed
EP-0284632-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1988-10-05 EP disclosed