SCHEMBL28113850

SCHEMBL28113850

Cc1ccc([O])cc1.[O]Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ACHE P22303 2/20 0.42
ALOX12 P18054 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42
BCHE P06276 1/20 0.42
CA12 O43570 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL95111 0.78
Benzene SCHEMBL28860818 0.78 ALDH1A1 (0.61) SMN1; SMN2ALOX12TSHRCA9ALDH1A1
SCHEMBL146 0.78
SCHEMBL27559754 0.76 TP53 (0.55) SMN1; SMN2ALOX12TDP1TSHRCYP3A4
SCHEMBL28449987 0.75
SCHEMBL29091866 0.75
SCHEMBL21823940 0.75
SCHEMBL28992055 0.75
SCHEMBL28533086 0.75
SCHEMBL27762232 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110431680-A Organic electroluminescent element HODOGAYA CHEMICAL CO LTD 2019-11-08 CN disclosed
CN-110088926-A Organic electroluminescent device 保土谷化学工业株式会社 2019-08-02 CN disclosed
CN-109966165-A The manufacturing method of hair dyeing dye composite and the composition 保土谷化学工业株式会社 2019-07-05 CN disclosed
CN-109790132-A Compound and organic electroluminescent device with benzoxazole ring structure 保土谷化学工业株式会社 2019-05-21 CN disclosed
CN-105576143-B Organic electroluminescence device 保土谷化学工业株式会社 2018-08-07 CN disclosed
CN-107925008-A Organic electroluminescence device 保土谷化学工业株式会社 2018-04-17 CN disclosed
CN-107266364-A Compound and organic electroluminescence device with 9,10 acridan ring structures 保土谷化学工业株式会社 2017-10-20 CN disclosed
CN-103038215-B Compound having indenocarbazole ring structure and organic electroluminescent device 保土谷化学工业株式会社 2016-12-07 CN disclosed