SCHEMBL7511899

SCHEMBL7511899

CC(CCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 3/20 0.58
HTR7 P34969 3/20 0.57
HTR1A P08908 2/20 0.57
AKR1C3 P42330 1/20 0.53
HDAC1 Q13547 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
ADAMTS5 Q9UNA0 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
GFER P55789 1/20 0.51
ATM Q13315 1/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
CNR1 P21554 1/20 0.51

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
SCHEMBL15840450 0.85 KMT2A (0.61) KMT2AMAPTMEN1HTR7HTR1A
SCHEMBL7452045 0.79 MGLL (0.54) KMT2AMAPTMEN1LMNA
SCHEMBL7453246 0.78 MGLL (0.53) KMT2AMAPTMEN1LMNA
SCHEMBL7450265 0.78 KMT2A (0.48) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL7511887 0.77 AKR1C3 (0.56) KMT2AMAPTMEN1HTR7HTR1A
SCHEMBL7456487 0.77 LMNA (0.42) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL9987526 0.77 KMT2A (0.68) KMT2AMAPTMEN1HTR7HTR1A
SCHEMBL12419699 0.75 AKR1C3 (0.68) KMT2AMAPTMEN1HTR7HTR1A
SCHEMBL15840436 0.74 MAPT (0.69) KMT2AMAPTMEN1HTR7HTR1A
SCHEMBL2824683 0.74 MAPT (1.00) KMT2AMAPTMEN1HTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455531-B1 METALLOPROTEINASE INHIBITORS DARWIN DISCOVERY, LTD. (GB) 2002-09-24 US disclosed
EP-1237868-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS Darwin Discovery Limited (GB) 2002-09-11 EP disclosed
WO-2001044189-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-06-21 WO disclosed