SCHEMBL8984444

SCHEMBL8984444

CC[C@@H]1NC(C(=O)O)Cc2c1[nH]c1ccccc21

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.71
TSHR P16473 2/20 0.67
MAPK1 P28482 1/20 0.67
KDM4E B2RXH2 7/20 0.66
ALDH1A1 P00352 4/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
MAPT P10636 1/20 0.66
HPGD P15428 1/20 0.66
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALOX12 P18054 1/20 0.56
HSD17B10 Q99714 2/20 0.54
ALOX15 P16050 1/20 0.54
HTT P42858 1/20 0.53

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
SCHEMBL10845107 1.00 CYP2D6 (0.71) CYP2D6TSHRMAPK1KDM4EALDH1A1
SCHEMBL10845287 1.00 CYP2D6 (0.71) CYP2D6TSHRMAPK1KDM4EALDH1A1
SCHEMBL29630319 1.00 CYP2D6 (0.71) CYP2D6TSHRMAPK1KDM4EALDH1A1
SCHEMBL4179880 1.00 CYP2D6 (0.71) CYP2D6TSHRMAPK1KDM4EALDH1A1
SCHEMBL10845109 1.00 CYP2D6 (0.71) CYP2D6TSHRMAPK1KDM4EALDH1A1
SCHEMBL8317770 1.00 CYP2D6 (0.71) CYP2D6TSHRMAPK1KDM4EALDH1A1
SCHEMBL2723896 0.90 CYP2D6 (0.75) CYP2D6TSHRMAPK1KDM4EALDH1A1
SCHEMBL10846857 0.90 CYP2D6 (0.75) CYP2D6TSHRMAPK1KDM4EALDH1A1
SCHEMBL10846851 0.90 CYP2D6 (0.75) CYP2D6TSHRMAPK1KDM4EALDH1A1
SCHEMBL10843818 0.90 CYP2D6 (0.75) CYP2D6TSHRMAPK1KDM4EALDH1A1

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-0503044-B1 PEPTIDE COMPOUNDS OF LAEVOROTATORY AMINO ACIDS AND RING MOLECULES, AND THERAPEUTICAL APPLICATIONS THEREOF POLIFARMA SPA (IT) 1996-06-12 EP disclosed
EP-0503044-A1 PEPTIDE COMPOUNDS OF LAEVOROTATORY AMINO ACIDS AND RING MOLECULES, AND THERAPEUTICAL APPLICATIONS THEREOF. POLIFARMA SPA (IT) 1992-09-16 EP disclosed
WO-1992006108-A1 PEPTIDE COMPOUNDS OF LAEVOROTATORY AMINO ACIDS AND RING MOLECULES, AND THERAPEUTICAL APPLICATIONS THEREOF POLIFARMA S.P.A. (IT) 1992-04-16 WO disclosed