SCHEMBL7367258

SCHEMBL7367258

CSC(=O)C(C(C)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.50
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL1312762 0.83 SRC (0.64) SRCCYP2D6HPGDKMT2ALMNA
SCHEMBL9834074 0.81 BRD4 (0.52) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL15455826 0.81 SRC (0.61) SRCCYP2D6HPGDKMT2ALMNA
SCHEMBL11012611 0.81 SRC (0.61) SRCCYP2D6HPGDKMT2ALMNA
SCHEMBL7303581 0.79 SRC (0.73) SRCCYP2D6HPGDKMT2ALMNA
SCHEMBL3678814 0.79 SRC (0.73) SRCCYP2D6HPGDKMT2ALMNA
SCHEMBL5565862 0.77 POLB (0.50) SRCCYP2D6POLBKMT2AMEN1
SCHEMBL9374736 0.77 SRC (0.56) SRCCYP2D6HPGDKMT2ALMNA
SCHEMBL8069666 0.75 SRC (0.54) SRCCYP2D6HPGDKMT2ALMNA
SCHEMBL10413138 0.75 SRC (0.54) SRCCYP2D6HPGDKMT2ALMNA

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 6 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
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