SCHEMBL22129808

SCHEMBL22129808

O=C(c1ccccc1)c1ccccc1O.O=C(c1ccccc1)c1ccccc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.76
GAA P10253 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
USP2 O75604 1/20 0.64
KEAP1 Q14145 1/20 0.64
NFE2L2 Q16236 1/20 0.64
AKR1C3 P42330 1/20 0.64
HPGD P15428 8/20 0.62
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
HMGB1 P09429 1/20 0.62
CA4 P22748 1/20 0.62
CA6 P23280 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62

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
SCHEMBL29390505 1.00 LIG1 (0.76) LIG1GAAMEN1KMT2AUSP2
Benzene SCHEMBL6034371 1.00 LIG1 (0.76) LIG1GAAMEN1KMT2AUSP2
SCHEMBL36215 1.00 LIG1 (0.76) LIG1GAAMEN1KMT2AUSP2
SCHEMBL9717050 0.98 LIG1 (0.73) LIG1GAAMEN1KMT2AUSP2
SCHEMBL30661140 0.98 LIG1 (0.73) LIG1GAAMEN1KMT2AUSP2
Ammonia Solution, Strong SCHEMBL28945185 0.98 LIG1 (0.73) LIG1GAAMEN1KMT2AUSP2
Benzophenone SCHEMBL178099 0.98 LIG1 (0.73) LIG1GAAMEN1KMT2AUSP2
Bicarbonate SCHEMBL3979276 0.98 LIG1 (0.73) LIG1GAAMEN1KMT2AUSP2
SCHEMBL11308720 0.98 LIG1 (0.73) LIG1GAAMEN1KMT2AUSP2
Bicarbonate SCHEMBL376894 0.98 LIG1 (0.73) LIG1GAAMEN1KMT2AUSP2

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
WO-2020130592-A1 METAL HALIDE PEROVSKITE LIGHT EMITTING DEVICE AND METHOD FOR MANUFACTURING SAME 서울대학교산학협력단 2020-06-25 WO disclosed
CN-100584897-C Surface-modified pyrogenically prepared titanium dioxides DEGUSSA 2010-01-27 CN disclosed
CN-1800270-A Surface-modified pyrogenically prepared titanium dioxides DEGUSSA (DE) 2006-07-12 CN disclosed
CN-1793243-A Structure modified titanium dioxides DEGUSSA (DE) 2006-06-28 CN disclosed