SCHEMBL9258153

SCHEMBL9258153

N#Cc1ccc(C[C@H](NC(N)=O)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.47
GPR34 Q9UPC5 1/20 0.46
ACE P12821 5/20 0.46
CPA1 P15085 4/20 0.46
ACE2 Q9BYF1 4/20 0.46
ITGB1 P05556 2/20 0.45
ITGA4 P13612 2/20 0.45
ITGB3 P05106 2/20 0.45
ITGAV P06756 1/20 0.45
CTSC P53634 1/20 0.43
KCNH2 Q12809 1/20 0.43
ITGA2B P08514 1/20 0.43
FOLH1 Q04609 1/20 0.43
NAALAD2 Q9Y3Q0 1/20 0.43
ITGB7 P26010 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FPR1 P21462 2/20 0.42
FPR2 P25090 2/20 0.42

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
SCHEMBL5435243 0.85 CTSS (0.56) MMEGPR34ACECPA1ACE2
SCHEMBL5435245 0.85 CTSS (0.56) MMEGPR34ACECPA1ACE2
SCHEMBL7292657 0.85 CTSS (0.56) MMEGPR34ACECPA1ACE2
SCHEMBL22285670 0.82 ITGB3 (0.52) MMEGPR34ACECPA1ACE2
SCHEMBL22285669 0.82 ITGB3 (0.52) MMEGPR34ACECPA1ACE2
SCHEMBL28357222 0.81 LOXL2 (0.49) MMEGPR34ACECPA1ACE2
SCHEMBL29855080 0.81 LOXL2 (0.49) MMEGPR34ACECPA1ACE2
SCHEMBL5490779 0.81 FOLH1 (0.61) MMEACECPA1ACE2FOLH1
SCHEMBL20578232 0.81 CA2 (0.58) MMEACECPA1ACE2ITGB3
SCHEMBL5851226 0.81 FOLH1 (0.61) MMEACECPA1ACE2FOLH1

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-5412145-A P2'-modified hydroxamic acid collagenase inhibitors BRITISH BIO-TECHNOLOGY LIMITED (GB) 1995-05-02 US disclosed
US-5300674-A P2'-modified hydroxamic acid collagenase inhibitors BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-04-05 US disclosed