SCHEMBL7450779

SCHEMBL7450779

C[C@H](OCc1ccccc1)[C@@H](CCc1cccc(Cl)c1Cl)NC(=O)c1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
ADA P00813 1/20 0.37
PTGER1 P34995 1/20 0.36
LMNA P02545 1/20 0.35
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
CTSB P07858 2/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 1/20 0.33
ATM Q13315 2/20 0.33
LIPG Q9Y5X9 1/20 0.33
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
UGCG Q16739 1/20 0.32
CTSL P07711 1/20 0.32
GPR132 Q9UNW8 1/20 0.32
ACACB O00763 1/20 0.32
INPPL1 O15357 1/20 0.32

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
SCHEMBL7448880 0.94 PTGER1 (0.37) PTGER1LMNAMMP9MMP8CTSB
SCHEMBL7448681 0.89 KMT2A (0.40) LMNAMMP9MMP8ATMHPGD
SCHEMBL7452291 0.87 MEN1 (0.37) PTGER1MMP9MMP8ATMHPGD
SCHEMBL7449545 0.87 KMT2A (0.40) ADACTSBCTSSHPGDCTSL
SCHEMBL7457342 0.87 KMT2A (0.40) ADACTSBCTSSHPGDCTSL
SCHEMBL7827665 0.86 APLNR (0.37) L3MBTL1
SCHEMBL7449449 0.85 ADA (0.47) CTSGCMA1ADALMNALIPG
SCHEMBL7449901 0.85 ATM (0.36) PTGER1MMP9MMP8ATMHPGD
SCHEMBL7453353 0.83 CNR1 (0.38) LMNAMMP9MMP8ATMHPGD
SCHEMBL7457219 0.83 TAS1R3 (0.37) PTGER1MMP9MMP8CTSL

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
WO-2001026605-A2 IMMUNOSUPPRESSIVE COMPOSITION CONTAINING IL-2 INHIBITOR AND AN ADENOSINE DEAMINASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-19 WO disclosed