SCHEMBL7548111

SCHEMBL7548111

C[C@H](OCc1ccccc1)[C@@H](CCOS(C)(=O)=O)NC(=O)c1c[nH]cn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
PTGER1 P34995 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 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
SCHEMBL7449714 0.86 MMP9 (0.38) MMP9MMP8ATMTDP1MAPT
SCHEMBL7448681 0.86 KMT2A (0.40) MMP9MMP8ATMMEN1KMT2A
SCHEMBL7453353 0.84 CNR1 (0.38) MMP9MMP8ATMTDP1MAPT
SCHEMBL7453006 0.83 NPC1 (0.40) TDP1MAPTPOLBMEN1NPC1
SCHEMBL7449950 0.82 ALDH1A1 (0.41) MAPTPOLBMEN1ALDH1A1KMT2A
SCHEMBL7258751 0.81 ATM (0.40) ATMPTGER1MEN1NPC1ALDH1A1
SCHEMBL7452291 0.81 MEN1 (0.37) MMP9MMP8ATMPTGER1POLB
SCHEMBL7448880 0.80 PTGER1 (0.37) MMP9MMP8ATMCTSLCTSB
SCHEMBL7827665 0.80 APLNR (0.37) TDP1POLBMEN1KMT2A
SCHEMBL7264011 0.80 MCHR1 (0.39) MAPTPTGER1S1PR1ALDH1A1

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