SCHEMBL6629887

SCHEMBL6629887

Cc1cc(C(C)Oc2ccc(C(=O)O)cc2)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
ATM Q13315 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.45
NPC1 O15118 1/20 0.45
GUSB P08236 1/20 0.45
IGF1R P08069 1/20 0.45
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
NQO2 P16083 1/20 0.43
EDNRA P25101 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL6633286 0.90 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1HTTKDM4E
SCHEMBL2528435 0.83 NCF1 (0.49) SMN1; SMN2KMT2AMEN1HTTKDM4E
SCHEMBL7402599 0.80 ADAM17 (0.55) SMN1; SMN2KMT2AMEN1KDM4EMAPT
SCHEMBL7400907 0.80 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AMEN1HTTKDM4E
SCHEMBL7405002 0.78 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AMEN1KDM4EMAPT
SCHEMBL7403682 0.78 ADAM17 (0.53) SMN1; SMN2KMT2AMEN1KDM4EMAPT
SCHEMBL6211760 0.78 ADORA2A (0.49) SMN1; SMN2ATMKMT2AMEN1HTT
SCHEMBL7404740 0.78 SMN1; SMN2 (0.50) SMN1; SMN2
SCHEMBL7403617 0.76 SMN1; SMN2 (0.44) SMN1; SMN2KDM4E
SCHEMBL7404237 0.76 ADAM17 (0.47) SMN1; 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
EP-1397137-A4 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP disclosed
EP-1263755-A2 CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed
WO-2001070673-A2 CYCLIC β-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-$g(a) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed