SCHEMBL11278299

SCHEMBL11278299

O=C(O)/C=C/c1ccc(OCCCBr)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
ATM Q13315 1/20 0.56
TBXAS1 P24557 2/20 0.54
POLB P06746 1/20 0.52
PPARA Q07869 5/20 0.51
ABCG2 Q9UNQ0 1/20 0.49
CA12 O43570 1/20 0.49
AKR1B10 O60218 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ESR1 P03372 1/20 0.49
CA3 P07451 1/20 0.49
PKM P14618 1/20 0.49
TYR P14679 1/20 0.49
AKR1B1 P15121 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
DPP4 P27487 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 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
SCHEMBL11278302 1.00 THRB (0.56) THRBATMTBXAS1POLBPPARA
SCHEMBL28928327 0.95 THRB (0.54) THRBATMTBXAS1POLBPPARA
SCHEMBL1626545 0.92 THRB (0.57) THRBATMTBXAS1POLBPPARA
SCHEMBL1626546 0.92 THRB (0.57) THRBATMTBXAS1POLBPPARA
SCHEMBL11684594 0.90 THRB (0.62) THRBATMTBXAS1POLBPPARA
SCHEMBL11686354 0.88 THRB (0.65) THRBATMTBXAS1POLBPPARA
SCHEMBL4509884 0.85 PPARA (0.65) THRBATMTBXAS1POLBPPARA
SCHEMBL154581 0.85 ABCG2 (0.65) THRBATMTBXAS1POLBPPARA
SCHEMBL14686124 0.85 THRB (0.57) THRBATMTBXAS1POLBPPARA
SCHEMBL1206856 0.85 ABCG2 (0.65) THRBATMTBXAS1POLBPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108912011-B Photoalignment material 罗立克科技股份公司 2021-09-24 CN disclosed
US-9334366-B2 Photoaligning materials ROLIC AG (CH) 2016-05-10 US disclosed
US-20140342086-A1 PHOTOALIGNING MATERIALS ROLIC AG (CH) 2014-11-20 US disclosed
EP-2763958-A1 PHOTOALIGNING MATERIALS Rolic AG (CH) 2014-08-13 EP disclosed
WO-2013050122-A1 PHOTOALIGNING MATERIALS ROLIC AG (CH) 2013-04-11 WO disclosed
EP-0056172-A2 Phenoxy- and thiophenoxy compounds, methods for their preparation and pharmaceutical formulations containing them FISONS plc (GB) 1982-07-21 EP disclosed