SCHEMBL8666252

SCHEMBL8666252

C=CCc1ccc(C(NC(=O)OC(C)(C)C)C(=O)OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
PPARA Q07869 7/20 0.40
PPARG P37231 6/20 0.40
KLK5 Q9Y337 2/20 0.39
PPARD Q03181 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ATM Q13315 2/20 0.37

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
SCHEMBL31724481 0.84 CTSS (0.48) CTSSCTSKPPARAPPARGKLK5
SCHEMBL31737717 0.84 CTSS (0.46) MAPTCTSSCTSKALDH1A1SMN1; SMN2
SCHEMBL7904095 0.82 KLK5 (0.54) CTSSCTSKPPARAPPARGKLK5
SCHEMBL1430082 0.82 KLK5 (0.54) CTSSCTSKPPARAPPARGKLK5
SCHEMBL9076774 0.82 KLK5 (0.54) CTSSCTSKPPARAPPARGKLK5
SCHEMBL8667675 0.82 CTSS (0.46) MAPTCTSSCTSKPPARAPPARG
SCHEMBL8667664 0.82 CTSS (0.49) CTSSCTSKPPARAPPARGKLK5
SCHEMBL21787641 0.80 CYP4A11 (0.46) CTSSCTSKPPARAPPARGKLK5
SCHEMBL1554122 0.80 CTSS (0.48) MAPTCTSSCTSKKLK5
SCHEMBL14254331 0.80 CTSS (0.48) MAPTCTSSCTSKPPARAPPARG

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-5747499-A CYCLOPENTAQUINAZOLINE COMPOUNDS CYCLOPENTAQUINAZOLINE COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1998-05-05 US disclosed
EP-0758328-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INTERNATIONAL LIMITED (GB) 1997-02-19 EP disclosed
WO-1995030673-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-16 WO disclosed