SCHEMBL5747402

SCHEMBL5747402

C=CCONC(=O)CN1C(=O)C(Cc2ccc(OC)cc2)Sc2cc(OCC=C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
PPARG P37231 3/20 0.39
ALDH1A1 P00352 5/20 0.39
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
HTT P42858 2/20 0.38
MCL1 Q07820 1/20 0.38
LMNA P02545 1/20 0.37
CACNA1S Q13698 2/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B3 P37058 1/20 0.35

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
SCHEMBL5745463 0.90 GAA (0.53) GAAPPARGALDH1A1MAPTHTT
SCHEMBL5747286 0.90 GAA (0.47) GAAPPARGALDH1A1HTTMCL1
SCHEMBL5745831 0.87 GAA (0.44) GAAPPARGALDH1A1POLBMAPT
SCHEMBL7447559 0.87 GAA (0.44) GAAPPARGALDH1A1POLBMAPT
SCHEMBL5747698 0.78 PPARG (0.45) GAAPPARGALDH1A1HTTMCL1
SCHEMBL5745179 0.77 THRB (0.47) GAAPPARGALDH1A1USP2HTT
SCHEMBL5746559 0.77 PPARG (0.51) GAAPPARGALDH1A1HTTMCL1
SCHEMBL5747345 0.76 PPARG (0.54) GAAPPARGALDH1A1HTTMCL1
SCHEMBL5746821 0.74 LMNA (0.53) HTTLMNAMAPK1TSHRSMN1; SMN2
SCHEMBL5745194 0.73 MCL1 (0.50) GAAPPARGALDH1A1HTTMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173427-B1 HYDROXAMIC ACID DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2006-04-05 EP disclosed
US-6713477-B1 1,4-BENZTHIAZINES OR BENZOXAZINES; MATRIX METALLOPROTEINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-30 US disclosed
EP-1173427-A1 HYDROXAMIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-01-23 EP disclosed
WO-2000063197-A1 HYDROXAMIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-10-26 WO disclosed