SCHEMBL3649155

SCHEMBL3649155

COc1cc(CC(=O)c2ccccc2)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 4/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HIF1A Q16665 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
USP2 O75604 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 2/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49

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
SCHEMBL11770096 0.91 RAB9A (0.50) NPC1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL904248 0.87 CTBP2 (0.60) NPC1RAB9AHTTLMNAHIF1A
SCHEMBL30342076 0.87 CTBP2 (0.60) NPC1RAB9AHTTLMNAHIF1A
SCHEMBL7194988 0.85 NPC1 (0.69) NPC1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL571063 0.84 USP2 (0.69) NPC1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL248073 0.81 NPC1 (0.73) NPC1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL1515775 0.80 MEN1 (0.61) NPC1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL1983304 0.80 LMNA (0.54) NPC1HTTSMN1; SMN2LMNATP53
Methoxymethane SCHEMBL27486318 0.80 MAPT (0.63) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL23906975 0.79 NPC1 (0.62) NPC1RAB9AHTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700378-B1 COMPOUNDS WHICH RELEASE NITRIC OXIDE UNIV CALIFORNIA (US) 2000-12-20 EP claimed
US-5374710-A Compounds which release nitric oxide upon illumination REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-12-20 US claimed
US-8480662-B2 Systems and devices for photoablation CARDIAC PACEMAKERS, INC. (US) 2013-07-09 US disclosed
EP-2188014-A1 SYSTEMS AND DEVICES FOR PHOTOABLATION Cardiac Pacemakers, Inc. (US) 2010-05-26 EP disclosed
WO-2009025826-A1 SYSTEMS AND DEVICES FOR PHOTOABLATION CARDIAC PACEMAKERS, INC. (US) 2009-02-26 WO disclosed
US-20090054883-A1 Systems and devices for photoablation CARDIAC PACEMAKERS, INC. (US) 2009-02-26 US disclosed
EP-0700378-B1 COMPOUNDS WHICH RELEASE NITRIC OXIDE UNIV CALIFORNIA (US) 2000-12-20 EP disclosed
US-5767288-A DITHIANE-BENZOIN ADDUCTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-06-16 US disclosed
EP-0700378-A1 COMPOUNDS WHICH RELEASE NITRIC OXIDE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-03-13 EP disclosed
EP-0700378-A4 COMPOUNDS WHICH RELEASE NITRIC OXIDE UNIV CALIFORNIA (US) 1996-01-22 EP disclosed
US-5374710-A Compounds which release nitric oxide upon illumination REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-12-20 US disclosed
WO-1994027957-A1 COMPOUNDS WHICH RELEASE NITRIC OXIDE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-12-08 WO disclosed