SCHEMBL7367263

SCHEMBL7367263

COC(=O)C(Sc1ccccc1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL3783064 0.83 CYP2C9 (0.47) LMNAMAPTL3MBTL1
SCHEMBL903959 0.81 EPHX1 (0.46) KMT2ALMNAMAPTGAAL3MBTL1
SCHEMBL5094461 0.78 ALDH1A1 (0.52) KMT2ALMNAMAPTTDP1PKM
SCHEMBL28043834 0.77 PKM (0.43) LMNAPOLBMAPK1MAPTPKM
SCHEMBL20563537 0.77 IDO1 (0.41) KMT2APOLBMAPTSMN1; SMN2MEN1
SCHEMBL20540763 0.75 LMNA (0.65) KMT2ALMNAMAPK1MAPTTDP1
SCHEMBL8329718 0.73 PIN1 (0.50) KMT2APOLBMAPTTDP1PKM
SCHEMBL20664948 0.72 KMT2A (0.44) KMT2ALMNAMAPTTDP1PKM
SCHEMBL6965136 0.72 LMNA (0.46) LMNAPOLBMAPK1MAPTPKM
SCHEMBL27684874 0.71 LMNA (0.49) KMT2ALMNAMAPTPKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730590-B1 ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-01-17 EP disclosed
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed
WO-2000024722-A1 2,3-DIHYDRO-4-OXO-4H-1,3-OXAZINE AND 2-OXO-1,2,5,6-TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS CROPSCIENCE S.A. (FR) 2000-05-04 WO disclosed
EP-0970950-A2 Novel isoxazoline and isoxazole fibrinogen receptor antagonists DuPont Pharmaceuticals Company (US) 2000-01-12 EP disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 WO disclosed