SCHEMBL10370581

SCHEMBL10370581

C[C@H](C[S])NC(=O)[C@@H](N)CCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.61
DPP9 Q86TI2 3/20 0.61
DPP8 Q6V1X1 2/20 0.61
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRE P78334 2/20 0.47
GABRA6 Q16445 2/20 0.47
GABRG1 Q8N1C3 2/20 0.47
GABRG3 Q99928 2/20 0.47
GABRQ Q9UN88 2/20 0.47
CYP1A2 P05177 2/20 0.47

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
SCHEMBL10370366 0.86 DPP8 (0.61) DPP4DPP9DPP8LMNABLM
SCHEMBL10162444 0.84 DPP4 (0.63) DPP4DPP9DPP8GABRPGABRD
SCHEMBL10280921 0.82 DPP4 (0.69) DPP4DPP9DPP8GABRPGABRD
SCHEMBL8166514 0.79 DPP4 (0.56) DPP4DPP9DPP8GABRPGABRD
SCHEMBL751142 0.79 DPP4 (0.65) DPP4DPP9DPP8GABRPGABRD
SCHEMBL29415456 0.79 DPP4 (0.65) DPP4DPP9DPP8GABRPGABRD
SCHEMBL751143 0.79 DPP4 (0.65) DPP4DPP9DPP8GABRPGABRD
SCHEMBL27996817 0.79 DPP4 (0.65) DPP4DPP9DPP8GABRPGABRD
SCHEMBL10742433 0.77 NOD1 (0.54) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL12118145 0.77 DPP4 (0.54) DPP4DPP9DPP8GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0163550-B1 MITOMYCIN DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1990-11-22 EP claimed
EP-0163550-A2 Mitomycin derivatives, preparation thereof and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1985-12-04 EP claimed
EP-0163550-B1 MITOMYCIN DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1990-11-22 EP disclosed
US-4691024-A BACTERICIDES, ANTITUMOR KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1987-09-01 US disclosed