SCHEMBL1128548

SCHEMBL1128548

CC(Cc1cccc(N)c1)c1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.61
ESR2 Q92731 4/20 0.61
ADRB2 P07550 4/20 0.52
TAAR1 Q96RJ0 3/20 0.44
SLC6A2 P23975 1/20 0.44
CA12 O43570 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
CYP19A1 P11511 1/20 0.40
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
MIF P14174 1/20 0.38

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
SCHEMBL310745 0.92 ADRB2 (0.48) ESR1ESR2ADRB2TAAR1SLC6A2
SCHEMBL30495002 0.92 ADRB2 (0.48) ESR1ESR2ADRB2TAAR1SLC6A2
SCHEMBL28087034 0.88 CYP19A1 (0.52) ESR1ESR2ADRB2TAAR1SLC6A2
SCHEMBL144607 0.88 ESR1 (0.71) ESR1ESR2ADRB2TAAR1SLC6A2
SCHEMBL30494859 0.85 CYP19A1 (0.53) ESR1ESR2ADRB2TAAR1SLC6A2
SCHEMBL10351218 0.85 MAOA (0.53) ADRB2TAAR1SLC6A2MAOBMAOA
SCHEMBL22031056 0.85 ESR1 (0.67) ESR1ESR2TAAR1SLC6A2PDCD1
SCHEMBL900979 0.84 ESR1 (0.61) ESR1ESR2ADRB2TAAR1SLC6A2
SCHEMBL27981745 0.84 ESR1 (0.61) ESR1ESR2ADRB2TAAR1SLC6A2
SCHEMBL10518882 0.84 ESR1 (0.51) ESR1ESR2ADRB2TAAR1CA12

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 10 patents. 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-2726530-A1 HYBRID EPOXY RESIN ADDUCTS Dow Global Technologies LLC (US) 2014-05-07 EP disclosed
EP-2726529-A1 HYBRID EPOXY RESINS Dow Global Technologies LLC (US) 2014-05-07 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
WO-2013006250-A1 HYBRID EPOXY RESIN ADDUCTS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-01-10 WO disclosed
WO-2012050688-A2 EPOXY RESIN ADDUCTS AND THERMOSETS THEREOF DOW GLOBAL TECHNOLOGIES LLC (US) 2012-04-19 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