SCHEMBL21111101

SCHEMBL21111101

COc1cc2c(O)cc3c(c2cc1OC)-c1ccccc1C3(C)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.42
PARP1 P09874 2/20 0.40
EP300 Q09472 1/20 0.38
GAA P10253 3/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL165110 0.87 PDK2 (0.40) PDK2PARP1EP300GAAHPGD
SCHEMBL30125362 0.87 PDK2 (0.40) PDK2PARP1EP300GAAHPGD
SCHEMBL10292862 0.87 PDK2 (0.40) PDK2PARP1GAAHPGDKMT2A
SCHEMBL9898233 0.84 MEN1 (0.45) PDK2PARP1GAAHPGDKMT2A
SCHEMBL1960034 0.83 PDK2 (0.61) PDK2
SCHEMBL1531822 0.83 KMT2A (0.41) PDK2PARP1EP300GAAHPGD
SCHEMBL2200232 0.82 PDK2 (0.41) PDK2PARP1EP300GAAHPGD
SCHEMBL30104202 0.82 PDK2 (0.41) PDK2PARP1EP300GAAHPGD
SCHEMBL25954206 0.82 PDK2 (0.38) PDK2PARP1EP300KMT2AMEN1
SCHEMBL12424633 0.82 ESR1 (0.40) PDK2PARP1EP300GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113943267-A Method for synthesizing naphthopyran photochromic dye by using microchannel reactor 广州盛色科技有限公司 2022-01-18 CN disclosed
CN-111171619-B Photochromic coating and preparation method thereof 南京米兰达视光科学研究院有限公司 2021-11-30 CN disclosed
EP-3508554-B1 PHOTOCHROMIC OPTICAL MATERIAL AND PREPARATION METHOD THEREFOR JIANGSU SHIKEXINCAI COMPANY LTD (CN) 2021-01-20 EP disclosed
CN-107778510-B Spiropyran photochromic optical material and preparation method thereof 南京米兰达视光科学研究院有限公司 2020-10-02 CN disclosed
CN-107779072-B Photochromic coating liquid and application thereof 江苏视科新材料股份有限公司 2020-08-25 CN disclosed
CN-111171619-A Photochromic coating and preparation method thereof 南京米兰达视光科学研究院有限公司 2020-05-19 CN disclosed
CN-107722028-B Photochromic optical material 江苏视科新材料股份有限公司 2020-04-21 CN disclosed
CN-107903889-B Photochromic nano composite microsphere and application thereof 江苏视科新材料股份有限公司 2020-04-17 CN disclosed
CN-107722027-B Preparation method of spiropyran photochromic nano composite microspheres 江苏视科新材料股份有限公司 2020-04-14 CN disclosed
CN-107828268-B Spiropyran photochromic coating and preparation method thereof 南京米兰达视光科学研究院有限公司 2020-02-21 CN disclosed
EP-3508554-A1 PHOTOCHROMIC OPTICAL MATERIAL AND PREPARATION METHOD THEREFOR Jiangsu Shikexincai Company Limited (CN) 2019-07-10 EP disclosed
CN-104817528-A Spiropyran photochromic compound and preparation method thereof JIANGSU SHIKE PHOTOELECTRIC NEW MATERIALS CO LTD 2015-08-05 CN disclosed