SCHEMBL7874885

SCHEMBL7874885

NCCC[C@@H](N)C(=O)OC(=O)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.41
▸ DPP8 Q6V1X1 3/20 0.40
▸ DPP7 Q9UHL4 2/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ GSR P00390 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SLC1A3 P43003 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11906139 0.88 LTA4H (0.44) LTA4HDPP8DPP7DPP9MMP2
SCHEMBL23111345 0.84 LTA4H (0.43) LTA4HGSRSLC1A3
Acetic Acid SCHEMBL27970702 0.84 ATM (0.42) LTA4HDPP8DPP7DPP9MMP2
SCHEMBL7775125 0.83 GSR (0.50) LTA4HDPP8DPP7DPP9MMP2
SCHEMBL7775127 0.83 GSR (0.50) LTA4HDPP8DPP7DPP9MMP2
SCHEMBL23111343 0.82 LTA4H (0.40) LTA4HSLC1A3ATML3MBTL1
SCHEMBL23111344 0.82 LTA4H (0.40) LTA4HSLC1A3ATML3MBTL1
SCHEMBL7391550 0.81 LTA4H (0.48) LTA4HDPP8DPP7MMP2TDP1
SCHEMBL28333235 0.80 LTA4H (0.41) LTA4HTDP1KMT2ASLC1A3ATM
Phenylacetic Acid SCHEMBL28273739 0.79 AKR1B1 (0.46) LTA4HDPP8DPP7DPP9MMP2

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
US-6310178-B1 AS THE N-TERMINAL RESIDUE OF BIOLOGICALLY ACTIVE PEPTIDES, E.G, THYROTROPIN RELEASING HORMONE (BY REPLACING THE N-TERMINAL PYROGLUTAMYL GROUP); IMPARTING INCREASED RESISTANCE TO PROTEOLYTIC DIGESTION SOLVAY, S.A. (BE) 2001-10-30 — — US disclosed
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