SCHEMBL901217

SCHEMBL901217

CC(Cc1ccc(C(=O)O)cc1)c1cccc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.49
ADRB3 P13945 4/20 0.49
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
CPN1 P15169 1/20 0.46
CPB2 Q96IY4 1/20 0.46
RXRG P48443 1/20 0.46
ANPEP P15144 2/20 0.44
ENPEP Q07075 2/20 0.44
PARP1 P09874 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ACACB O00763 1/20 0.40
ADRB2 P07550 1/20 0.40
CASP3 P42574 1/20 0.40
CASP6 P55212 1/20 0.40
COPS5 Q92905 1/20 0.40
NR3C2 P08235 1/20 0.40

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
SCHEMBL16428923 0.87 PARP1 (0.53) ADRB1ADRB3RXRARXRBRXRG
SCHEMBL1100916 0.86 ESR1 (0.46) CPN1CPB2ALDH1A1ADRB2
SCHEMBL1446561 0.86 ANPEP (0.43) RXRARXRBRXRGANPEPENPEP
Hydrochloric Acid SCHEMBL7131613 0.85 PARP1 (0.52) ADRB1ADRB3RXRARXRBRXRG
SCHEMBL900891 0.84 ESR1 (0.47) ADRB1ADRB3RXRARXRBRXRG
SCHEMBL19878437 0.84 ESR1 (0.47) ADRB1ADRB3RXRARXRBRXRG
SCHEMBL8580067 0.83 MAOA (0.52) ADRB2
SCHEMBL4601882 0.83 ADRB1 (0.57) ADRB1ADRB3RXRARXRBRXRG
SCHEMBL4601885 0.83 ADRB1 (0.57) ADRB1ADRB3RXRARXRBRXRG
SCHEMBL900979 0.82 ESR1 (0.61) ADRB1ADRB3ADRB2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3500627-A1 ADDUCTS AND USES THEREOF Huntsman Advanced Materials Americas LLC (US) 2019-06-26 EP disclosed
WO-2018035397-A1 ADDUCTS AND USES THEREOF HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) 2018-02-22 WO disclosed
EP-2726529-A1 HYBRID EPOXY RESINS Dow Global Technologies LLC (US) 2014-05-07 EP disclosed
EP-2726530-A1 HYBRID EPOXY RESIN ADDUCTS Dow Global Technologies LLC (US) 2014-05-07 EP disclosed
EP-2621994-A1 EPOXY RESIN COMPOSITIONS Dow Global Technologies LLC (US) 2013-08-07 EP disclosed
EP-2621990-A2 THERMOSETTABLE COMPOSITIONS AND THERMOSETS THEREFROM Dow Global Technologies LLC (US) 2013-08-07 EP disclosed
EP-2621992-A2 EPOXY RESIN ADDUCTS AND THERMOSETS THEREOF Dow Global Technologies LLC (US) 2013-08-07 EP disclosed
WO-2013055411-A1 HYBRID EPOXY RESINS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-04-18 WO disclosed
EP-2563835-A1 EPOXY POLYCYCLOPENTADIENE COMPOUNDS Dow Global Technologies LLC (US) 2013-03-06 EP disclosed
WO-2013006250-A1 HYBRID EPOXY RESIN ADDUCTS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-01-10 WO disclosed
EP-2507325-A1 COATING COMPOSITIONS Dow Global Technologies LLC (US) 2012-10-10 EP disclosed
WO-2012050688-A2 EPOXY RESIN ADDUCTS AND THERMOSETS THEREOF DOW GLOBAL TECHNOLOGIES LLC (US) 2012-04-19 WO disclosed
WO-2012047420-A2 THERMOSETTABLE COMPOSITIONS AND THERMOSETS THEREFROM DOW GLOBAL TECHNOLOGIES LLC (US) 2012-04-12 WO disclosed
WO-2012044443-A1 EPOXY RESIN COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-04-05 WO disclosed
WO-2011136843-A1 EPOXY POLYCYCLOPENTADIENE COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-11-03 WO disclosed
WO-2011068643-A2 COMPOSITE COMPOSITIONS DOW GLOBAL TECHNOLOGIES INC. (US) 2011-06-09 WO disclosed
WO-2011068644-A1 EPOXY RESIN COMPOSITIONS DOW GLOBAL TECHNOLOGIES INC. (US) 2011-06-09 WO disclosed
WO-2011068645-A1 COATING COMPOSITIONS DOW GLOBAL TECHNOLOGIES INC. (US) 2011-06-09 WO disclosed
EP-2283060-A1 ADDUCTS OF EPOXY RESINS AND PROCESS FOR PREPARING THE SAME Dow Global Technologies Inc. (US) 2011-02-16 EP disclosed
WO-2009142898-A1 ADDUCTS OF EPOXY RESINS AND PROCESS FOR PREPARING THE SAME DOW GLOBAL TECHNOLOGIES INC. (US) 2009-11-26 WO disclosed