SCHEMBL5497686

SCHEMBL5497686

C=C(C)C(=O)OC(On1nnc2ccccc21)C(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
SIRT2 Q8IXJ6 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
APAF1 O14727 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 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
SCHEMBL3837976 0.78 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25141143 0.74 TSHR (0.50) HTTHDAC3HDAC4HDAC1HDAC7
SCHEMBL5497702 0.73 RAB9A (0.46) HTTHDAC3HDAC4HDAC1HDAC7
SCHEMBL14386965 0.72 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9612373 0.71 TSHR (0.53) HTTHDAC3HDAC4HDAC1HDAC7
SCHEMBL23501508 0.69 HCAR3 (0.43) APAF1POLBNPSR1MAPTGAA
SCHEMBL2849879 0.69 HDAC3 (0.54) HTTHDAC3HDAC4HDAC1HDAC7
SCHEMBL2608492 0.69 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1562975 0.68 SIRT2 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9860796 0.68 TSHR (0.50) HTTHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279507-B2 Contact lenses COOPERVISION INTERNATIONAL HOLDING COMPANY, LP (BB) 2007-10-09 US disclosed
US-20050148682-A1 Interpenetrating polymer network hydrophilic hydrogels for contact lens COOPERVISION INTERNATIONAL LIMITED (GB) 2005-07-07 US disclosed
EP-1095076-A4 INTERPENETRATING POLYMER NETWORK HYDROPHILIC HYDROGELS FOR CONTACT LENS SUNSOFT CORP (US) 2002-11-06 EP disclosed
US-20010044482-A1 Interpenetrating polymer network hydrophilic hydrogels for contact lens COOPERVISION INTERNATIONAL LIMITED (GB) 2001-11-22 US disclosed
EP-1095076-A1 INTERPENETRATING POLYMER NETWORK HYDROPHILIC HYDROGELS FOR CONTACT LENS Sunsoft Corporation (US) 2001-05-02 EP disclosed
WO-2000002937-A1 INTERPENETRATING POLYMER NETWORK HYDROPHILIC HYDROGELS FOR CONTACT LENS SUNSOFT CORPORATION (US) 2000-01-20 WO disclosed
US-5684059-A FLUOROMONOMER, HYDROXYALKYL ACRYLATE OR METHACRYLATE, N-VINYL LACTAM, SULFONIC ACID MONOMER OPTIMERS, INC. 1997-11-04 US disclosed
EP-0253515-B1 Fluorine containing soft contact lens hydrogels OPTIMERS INC (US) 1995-08-09 EP disclosed
EP-0563047-A4 1994-02-09 EP disclosed
EP-0563047-A1 FLUORINE CONTAINING SOFT CONTACT LENS HYDROGELS SALAMONE, Joseph C. (US) 1993-10-06 EP disclosed
WO-1992011300-A1 FLUORINE CONTAINING SOFT CONTACT LENS HYDROGELS SALAMONE JOSEPH C (US) 1992-07-09 WO disclosed
US-4990582-A Wettable, oxygen permeable resistant to protein deposits OPTIMERS, INC. 1991-02-05 US disclosed
EP-0253515-A2 Fluorine containing soft contact lens hydrogels OPTIMERS INC. (US) 1988-01-20 EP disclosed