SCHEMBL8033191

SCHEMBL8033191

Nc1ccc(-c2ccc(C[C@H](N)C(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.50
SLC7A5 Q01650 2/20 0.50
LTA4H P09960 1/20 0.50
LAP3 P28838 1/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
F2 P00734 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
ALDH1A1 P00352 2/20 0.46
SRR Q9GZT4 2/20 0.46
PSAT1 Q9Y617 2/20 0.46
PPARG P37231 4/20 0.43
PPARA Q07869 3/20 0.43
IDO1 P14902 1/20 0.43
TACR1 P25103 1/20 0.43
MC4R P32245 1/20 0.43
MC5R P33032 1/20 0.43

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
Hydrochloric Acid SCHEMBL8033185 0.99 SLC15A1 (0.49) SLC15A1SLC7A5LTA4HLAP3ALPI
SCHEMBL6473927 0.93 SLC7A5 (0.54) SLC15A1SLC7A5LTA4HLAP3ALPI
Hydrochloric Acid SCHEMBL3828203 0.91 SRR (0.54) SLC15A1SLC7A5LTA4HLAP3ALPI
Hydrochloric Acid SCHEMBL6118372 0.91 SRR (0.54) SLC15A1SLC7A5LTA4HLAP3ALPI
Hydrochloric Acid SCHEMBL8446485 0.91 SRR (0.54) SLC15A1SLC7A5LTA4HLAP3ALPI
SCHEMBL8030938 0.90 SLC7A5 (0.57) SLC15A1SLC7A5LTA4HLAP3ALPI
Hydrochloric Acid SCHEMBL8030935 0.89 SLC7A5 (0.55) SLC15A1SLC7A5LTA4HLAP3ALPI
SCHEMBL73707 0.88 SLC7A5 (0.63) SLC15A1SLC7A5LTA4HLAP3ALPI
SCHEMBL73708 0.88 SLC7A5 (0.63) SLC15A1SLC7A5LTA4HLAP3ALPI
SCHEMBL3099705 0.88 SLC7A5 (0.63) SLC15A1SLC7A5LTA4HLAP3ALPI

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
EP-0738711-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2000-03-08 EP disclosed
US-5891912-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-04-06 US disclosed
EP-0738711-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-10-23 EP disclosed