SCHEMBL29353299

SCHEMBL29353299

COc1cc2c(OC)cccc2cc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
KDM4E B2RXH2 4/20 1.00
HPGD P15428 3/20 1.00
HSD17B10 Q99714 1/20 1.00
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
CA3 P07451 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA5A P35218 1/20 0.56
CA5B Q9Y2D0 1/20 0.56
PDE10A Q9Y233 1/20 0.49
GRIN2D O15399 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47

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
SCHEMBL551105 1.00 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL8126323 0.93 ALDH1A1 (0.88) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL29450082 0.92 ALDH1A1 (0.84) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL164671 0.92 ALDH1A1 (0.84) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL8107680 0.90 KDM4E (0.81) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL29620158 0.87 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL8206713 0.87 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL8207252 0.87 KDM4E (0.77) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL400926 0.87 KDM4E (0.77) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL30660791 0.85 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDHSD17B10LCK

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-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN claimed
EP-4277884-A1 SUBSTITUTED SALICYLAMIDE COMPOUNDS AND USE THEREOF Helios Huaming Biopharma Co., Ltd. (CN) 2023-11-22 EP disclosed
CN-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN disclosed
CN-116744912-A Substituted salicylamide compounds and uses thereof 苏州华明道康生物医药有限公司 2023-09-12 CN disclosed
EP-4225743-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF Helios Huaming Biopharma Co., Ltd. (CN) 2023-08-16 EP disclosed
CN-116367832-A Substituted heteroaryl compounds and uses thereof 苏州华明道康生物医药有限公司 2023-06-30 CN disclosed
WO-2022078294-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2022-04-21 WO disclosed
CN-106918990-B Photoresist composition 住友化学株式会社 2022-01-25 CN disclosed