SCHEMBL6009039

SCHEMBL6009039

CC(O)OC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
DGAT1 O75907 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CYP2D6 P10635 1/20 0.34
HDAC6 Q9UBN7 3/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
MAPK1 P28482 1/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TSHR P16473 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL3082211 0.82 TSHR (0.43) ELANEDGAT1CA1CA2CA7
SCHEMBL14593926 0.82 ELANE (0.36) ELANEDGAT1CA1CA2CA7
Hydrogen Peroxide SCHEMBL22069984 0.80 TSHR (0.42) ELANEDGAT1CA1CA2CA7
Water SCHEMBL427934 0.80 TSHR (0.42) ELANEDGAT1CA1CA2CA7
SCHEMBL4958194 0.80 ELANE (0.35) ELANEDGAT1CA1CA2CA7
SCHEMBL4739239 0.78 ELANE (0.34) ELANEDGAT1CA1CA2CA7
SCHEMBL6897035 0.78 CA1 (0.37) ELANEDGAT1CA1CA2CA7
SCHEMBL6897890 0.78 CA1 (0.37) ELANEDGAT1CA1CA2CA7
SCHEMBL12306266 0.78 CA1 (0.37) ELANEDGAT1CA1CA2CA7
SCHEMBL1171711 0.78 ELANE (0.34) ELANEDGAT1CA1CA2CA7

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 18 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-5961483-A Iontophoretic delivery of cell adhesion inhibitors COLLATERAL AGENTS, LLC 1999-10-05 US claimed
US-5811441-A INHIBITION OF PLATELET AGGREGATION; TREATMENT OF AUTOIMMUNE DISEASES THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US claimed
US-4914129-A Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups CIBA-GEIGY CORPORATION (US) 1990-04-03 US claimed
US-4889869-A ANTIALDOSTERONISM AGENTS CIBA-GEIGY CORPORATION (US) 1989-12-26 US claimed
US-4758584-A Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups CIBA-GEIGY CORPORATION (US) 1988-07-19 US claimed
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
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP disclosed