SCHEMBL9875433

SCHEMBL9875433

Nc1ccc(NC(=O)[C@@H](N)CCC(=O)O)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.51
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
MMP2 P08253 2/20 0.43
MMP9 P14780 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CDC25B P30305 1/20 0.42
CASP6 P55212 1/20 0.42
RCE1 Q9Y256 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CASR P41180 1/20 0.41
GFER P55789 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL10766258 0.86 LTA4H (0.51) LTA4HS1PR1S1PR3MMP2MMP9
SCHEMBL8378243 0.81 LTA4H (0.46) LTA4HS1PR1S1PR3MMP2MMP9
SCHEMBL31458519 0.81 LTA4H (0.46) LTA4HS1PR1S1PR3MMP2MMP9
SCHEMBL7039236 0.81 LTA4H (0.60) LTA4HALDH1A1CDC25BCASP6RCE1
SCHEMBL9647142 0.81 LTA4H (0.51) LTA4HS1PR1S1PR3MMP2MMP9
Ammonia Solution, Strong SCHEMBL30421194 0.80 LTA4H (0.46) LTA4HS1PR1S1PR3MMP2MMP9
SCHEMBL4242289 0.80 LTA4H (0.61) LTA4HS1PR1S1PR3MMP2MMP9
SCHEMBL11038421 0.79 LTA4H (0.60) LTA4HS1PR1S1PR3MMP2MMP9
SCHEMBL7902676 0.79 LTA4H (0.60) LTA4HS1PR1S1PR3MMP2MMP9
SCHEMBL11037760 0.77 CASR (0.56) LTA4HS1PR1S1PR3ALDH1A1KMT2A

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-5055195-A Coagulation, filtration, separation form whole blood; having two strongly polar groups separated by aromatic or heteroaroma tic rings BOEHRINGER MANNHEIM GMBH (DE) 1991-10-08 US disclosed
US-4820489-A REAGENT CONTAINING POLYMERIC FILM EMBEDDED ON FLEECE CARRIER COATING OF TEST STRIPS BOEHRINGER MANNHEIM GMBH (DE) 1989-04-11 US disclosed
US-4604264-A REAGENT CONTAINING FILM EMBEDDED ON CARRIER LAYER BOEHRINGER MANNHEIM GMBH (DE) 1986-08-05 US disclosed