SCHEMBL9180905

SCHEMBL9180905

O=CC[C@@H](NC(CCc1ccccc1)CC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.52
MME P08473 2/20 0.47
MMP12 P39900 3/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
CTSG P08311 1/20 0.42
CTRB1 P17538 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
CPA1 P15085 3/20 0.40
POLB P06746 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
CPB1 P15086 1/20 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
SCHEMBL8255233 0.82 MMP3 (0.47) ACEMMEMMP12MMP2MMP13
SCHEMBL5869885 0.82 MMP3 (0.47) ACEMMEMMP12MMP2MMP13
SCHEMBL4886945 0.77 MMP2 (0.46) MMEMMP12MMP2MMP9MMP13
SCHEMBL4883081 0.77 MMP2 (0.46) MMEMMP12MMP2MMP9MMP13
SCHEMBL4883091 0.77 MMP2 (0.46) MMEMMP12MMP2MMP9MMP13
SCHEMBL8257746 0.76 MME (0.66) ACEMMEMMP12MMP2MMP9
SCHEMBL5869275 0.76 MME (0.66) ACEMMEMMP12MMP2MMP9
SCHEMBL23120332 0.75 SMN1; SMN2 (0.49) ACECTSGCTRB1MEN1HTT
SCHEMBL8705659 0.75 GGT1 (0.50) ACEMMEMMP2MMP9MEN1
SCHEMBL14350867 0.75 SMN1; SMN2 (0.49) ACECTSGCTRB1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659193-A1 PLATELET AGGREGATION INHIBITORS G.D. Searle & Co. (US) 1995-06-28 EP disclosed