SCHEMBL7244226

SCHEMBL7244226

CCCC(CP(=O)(CSc1ccc2ccccc2n1)OCC)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 7/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.44
RXFP1 Q9HBX9 5/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 4/20 0.40
MAPK10 P53779 2/20 0.40
RAB9A P51151 3/20 0.40
THRB P10828 1/20 0.40
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
PRKCA P17252 2/20 0.37
RASGRP3 Q8IV61 2/20 0.37
HPGD P15428 1/20 0.37
MMP1 P03956 1/20 0.36

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
SCHEMBL7051079 0.90 PRNP (0.49) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7049089 0.89 PRNP (0.52) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7049709 0.89 PRNP (0.52) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7046328 0.89 PRNP (0.47) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7049862 0.84 KMT2A (0.47) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7050333 0.82 PPARG (0.39) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL7052148 0.82 POLB (0.45) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL7244415 0.80 POLB (0.38) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7049809 0.77 PRNP (0.48) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7049135 0.73 SMN1; SMN2 (0.37) KMT2AMEN1ALDH1A1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579890-B1 Matrix metalloprotease inhibitors SYNTEX (U.S.A.) INC. 2003-06-17 US disclosed
US-6037472-A FOR TREATING DISEASE-STATES CHARACTERIZED BY EXCESSIVE ACTIVITY OF MATRIX METALLOPROTEASES SUCH AS RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTAL DISEASE, ABERRANT ANGIOGENESIS, TUMOR INVASION AND METASTASIS SYNTEX (U.S.A.) INC. (US) 2000-03-14 US disclosed
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP disclosed
EP-0726903-B1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1997-07-16 EP disclosed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 WO disclosed