SCHEMBL6007723

SCHEMBL6007723

O=C(OCO)OC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
HTT P42858 1/20 0.44
CYP2C19 P33261 1/20 0.43
NAAA Q02083 2/20 0.42
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CYP19A1 P11511 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
MMP9 P14780 2/20 0.34
MMP12 P39900 2/20 0.34
MMP1 P03956 1/20 0.34
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP2 P08253 1/20 0.33

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
SCHEMBL17625372 0.98 EPHX1 (0.42) EPHX1HTTCYP2C19NAAACA12
SCHEMBL5398616 0.83 EPHX1 (0.43) EPHX1HTTCYP2C19NAAACA12
SCHEMBL6007716 0.83 EPHX1 (0.46) EPHX1HTTCYP2C19NAAACA12
SCHEMBL984315 0.81 EPHX1 (0.60) EPHX1HTTCYP2C19NAAACA12
SCHEMBL13387598 0.81 EPHX1 (0.60) EPHX1HTTCYP2C19NAAACA12
SCHEMBL8991654 0.81 EPHX1 (0.60) EPHX1HTTCYP2C19NAAACA12
SCHEMBL37472 0.81 EPHX1 (0.60) EPHX1HTTCYP2C19NAAACA12
SCHEMBL8426647 0.81 EPHX1 (0.60) EPHX1HTTCYP2C19NAAACA12
SCHEMBL11589654 0.81 EPHX1 (0.60) EPHX1HTTCYP2C19NAAACA12
SCHEMBL4630680 0.81 EPHX1 (0.53) EPHX1HTTCYP2C19NAAACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832077-B1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-11-14 EP claimed
US-5811441-A INHIBITION OF PLATELET AGGREGATION; TREATMENT OF AUTOIMMUNE DISEASES THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US claimed
EP-0832077-A1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP claimed
WO-1996037482-A1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO claimed
CN-113956642-B PC/PBT composition with high weld mark strength and preparation method thereof 万华化学(宁波)有限公司 2023-07-11 CN disclosed
EP-0920345-A4 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS VYTERIS INC (US) 2006-05-10 EP disclosed
EP-0832077-B1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-11-14 EP disclosed
US-5961483-A Iontophoretic delivery of cell adhesion inhibitors COLLATERAL AGENTS, LLC 1999-10-05 US disclosed
US-5935598-A DEVICE FOR NON-INVASIVE ADMINISTRATION OF A CELL ADHESION RECEPTOR ANTAGONIST TO A MAMMAL; CURRENT DISTRIBUTING MEMBER, IONIZABLE ANTAGONIST RESERVOIR, ELECTROLYTE RESERVOIR, POWDER SOURCE; TREATING THROMBOSIS, ANTICOAGULANTS BECTON DICKINSON RESEARCH CENTER (US) 1999-08-10 US disclosed
EP-0920345-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS Becton Dickinson and Company (US) 1999-06-09 EP disclosed
US-5811441-A INHIBITION OF PLATELET AGGREGATION; TREATMENT OF AUTOIMMUNE DISEASES THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US disclosed
EP-0832077-A1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed
WO-1997048443-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO disclosed
WO-1997048444-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO disclosed
WO-1996037482-A1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO disclosed
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed