SCHEMBL3925630

SCHEMBL3925630

C=C(C)C.OC=Cc1ccccc1.OC=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.47
MAOB P27338 1/20 0.46
ALDH1A1 P00352 3/20 0.43
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL20077 0.87
Methacrylic Acid SCHEMBL1326292 0.87 GLA (0.53) GLATDP1CYP3A4ALOX15MAOB
SCHEMBL28759603 0.87 MAOB (0.58) GLATDP1ALOX15MAOBALDH1A1
SCHEMBL2777416 0.87
Acetic Acid SCHEMBL9421165 0.86 GLA (0.61) GLATDP1ALOX15MAOBALDH1A1
Iodide SCHEMBL31264191 0.85 MAOB (0.55) GLATDP1ALOX15MAOBALDH1A1
SCHEMBL29127335 0.85 MAOB (0.55) GLATDP1ALOX15MAOBALDH1A1
Bromide SCHEMBL5434485 0.85 MAOB (0.55) GLATDP1ALOX15MAOBALDH1A1
Styrene SCHEMBL29251272 0.84 ALDH1A1 (0.52) GLATDP1CYP3A4ALOX15MAOB
SCHEMBL1681867 0.84 TDP1 (0.50) GLATDP1CYP3A4MAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040769-B1 CONTROL REALEASE DRUG COATING FOR MEDICAL DEVICES BOSTON SCIENT LTD (BB) 2014-02-26 EP claimed
JP-2009540921-A 2009-11-26 JP claimed
EP-2040769-A2 CONTROL REALEASE DRUG COATING FOR MEDICAL DEVICES Boston Scientific Limited (BB) 2009-04-01 EP claimed
WO-2007149161-A2 CONTROL REALEASE DRUG COATING FOR MEDICAL DEVICES BOSTON SCIENTIFIC SCIMED, INC. (US) 2007-12-27 WO claimed
US-20070298067-A1 Control release drug coating for medical devices BOSTON SCIENTIFIC SCIMED, INC. 2007-12-27 US claimed
EP-2040769-B1 CONTROL REALEASE DRUG COATING FOR MEDICAL DEVICES BOSTON SCIENT LTD (BB) 2014-02-26 EP disclosed
EP-2040769-A2 CONTROL REALEASE DRUG COATING FOR MEDICAL DEVICES Boston Scientific Limited (BB) 2009-04-01 EP disclosed
WO-2007149161-A2 CONTROL REALEASE DRUG COATING FOR MEDICAL DEVICES BOSTON SCIENTIFIC SCIMED, INC. (US) 2007-12-27 WO disclosed
US-20070298067-A1 Control release drug coating for medical devices BOSTON SCIENTIFIC SCIMED, INC. 2007-12-27 US disclosed