SCHEMBL6001561

SCHEMBL6001561

c1ccc2c(Oc3occ4ccccc34)occ2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 5/20 0.38
CYP2A6 P11509 4/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPRT1 P00492 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.33
CYP1A2 P05177 3/20 0.32
HPGD P15428 2/20 0.32
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
THRB P10828 1/20 0.32
ALOX12 P18054 1/20 0.32
PARP1 P09874 1/20 0.31
CYP3A4 P08684 1/20 0.31
KEAP1 Q14145 1/20 0.31
KMT2A Q03164 3/20 0.30
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL29529441 0.82 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL6013736 0.79 HSD17B10 (0.33) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL547450 0.77 PTPN1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL10944396 0.74 HSD17B10 (0.37) ALDH1A1HSD17B10TDP1CYP1A2HPGD
SCHEMBL21179481 0.73 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Hydrochloric Acid SCHEMBL1452304 0.71 PTPN22 (0.38) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4079696 0.68 CYP2A6 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4897405 0.68 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1605255 0.68 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL2008998 0.68 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105593714-A Long optical film, circularly polarizing plate provided with long optical film, and organic electroluminescent display device KONICA MINOLTA INC 2016-05-18 CN disclosed
US-20160003995-A1 OPTICAL FILM, CIRCULARLY POLARIZING PLATE, AND ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE Konica Minolta, Inc. (JP) 2016-01-07 US disclosed
US-20060252906-A1 Method of synthesis of polyarylenes and the polyarylenes made by such method GODSCHALX JAMES P 2006-11-09 US disclosed
WO-2004073824-A2 METHOD OF SYNTHESIS OF POLYARYLENES AND THE POLYARYLENES MADE BY SUCH METHOD DOW GLOBAL TECHNOLOGIES INC. (US) 2004-09-02 WO disclosed