SCHEMBL27765546

SCHEMBL27765546

O=C1CC[C@@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)N1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.63
ICAM1 P05362 4/20 0.63
ITGAL P20701 4/20 0.63
ALOX15 P16050 1/20 0.57
ACE P12821 3/20 0.56
ECE1 P42892 6/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
FPR2 P25090 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
SCHEMBL642928 1.00 ITGB2 (0.63) ITGB2ICAM1ITGALALOX15ACE
SCHEMBL2790097 1.00 ITGB2 (0.63) ITGB2ICAM1ITGALALOX15ACE
SCHEMBL27765550 1.00 ITGB2 (0.63) ITGB2ICAM1ITGALALOX15ACE
SCHEMBL11197636 1.00 ITGB2 (0.63) ITGB2ICAM1ITGALALOX15ACE
SCHEMBL11201374 1.00 ITGB2 (0.63) ITGB2ICAM1ITGALALOX15ACE
Water SCHEMBL11200551 0.99 ITGB2 (0.62) ITGB2ICAM1ITGALALOX15ACE
Water SCHEMBL11200545 0.99 ITGB2 (0.62) ITGB2ICAM1ITGALALOX15ACE
SCHEMBL27849701 0.91 ITGB2 (0.54) ITGB2ICAM1ITGALACEECE1
SCHEMBL27831208 0.89 ITGB2 (0.52) ITGB2ICAM1ITGALACEECE1
SCHEMBL27831315 0.89 GHSR (0.52) ITGB2ICAM1ITGALACEECE1

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
CN-103288705-A Crystalline d-isoglutamyl-d-tryptophan and the mono ammonium slat of d-isoglutamyl-d-tryptophan APOTEX TECHNOLOGIES INC 2013-09-11 CN disclosed
CN-103288704-A Crystalline d-isoglutamyl-d-tryptophan and the mono ammonium slat of d-isoglutamyl-d-tryptophan APOTEX TECHNOLOGIES INC 2013-09-11 CN disclosed
CN-103288706-A Crystalline d-isoglutamyl-d-tryptophan and the mono ammonium slat of d-isoglutamyl-d-tryptophan APOTEX TECHNOLOGIES INC 2013-09-11 CN disclosed
CN-101605806-A Crystalline D-isoglutamyl-D-tryptophan and the mono ammonium salt of D-isoglutamyl-D-tryptophan APOTEX TECHNOLOGIES INC (CA) 2009-12-16 CN disclosed