SCHEMBL8495017

SCHEMBL8495017

N=C(c1ccc(C(=O)O)cc1)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
HPGD P15428 4/20 0.50
PHGDH O43175 4/20 0.49
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
DNMT1 P26358 1/20 0.45
PTPN7 P35236 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMO O15229 1/20 0.45
PKM P14618 1/20 0.45
F10 P00742 1/20 0.44
MEN1 O00255 1/20 0.44
FKBP1A P62942 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
MGLL Q99685 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4696938 0.81 HPGD (0.72) MAPTHPGDPHGDHTSHRKMT2A
Hydrochloric Acid SCHEMBL3315179 0.81 LMNA (0.58) MAPTHPGDTSHRF10ALDH1A1
SCHEMBL8923922 0.80 GSK3B (0.65) MAPTHPGDPHGDHKMT2APOLB
SCHEMBL15651912 0.80 MGLL (0.44) MAPTHPGDPHGDHTSHRKMT2A
SCHEMBL10131844 0.80 MGLL (0.68) MAPTHPGDPHGDHTSHRKMT2A
SCHEMBL8108872 0.80 MGLL (0.68) MAPTHPGDPHGDHTSHRKMT2A
SCHEMBL26482357 0.77 ITGB3 (0.43) HPGDPHGDHTSHRALDH1A1ALOX15
SCHEMBL7964773 0.76 TSHR (0.79) MAPTHPGDPHGDHTSHRKMT2A
SCHEMBL19832853 0.76 MGLL (0.41) MAPTHPGDPHGDHTSHRKMT2A
SCHEMBL13185332 0.76 FKBP1A (0.51) MAPTHPGDKMT2ATDP1L3MBTL1

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-5866592-A Fibrinogen receptor antagonist and pharmaceutical compositions comprising the same NIPPON STEEL CORPORATION (JP) 1999-02-02 US disclosed