SCHEMBL8585374

SCHEMBL8585374

COc1cc(OC)nc(OOC(=O)c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ F2 P00734 1/20 0.48
▸ EDNRB P24530 4/20 0.47
▸ EDNRA P25101 4/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ GAA P10253 1/20 0.44

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
SCHEMBL8584199 0.84 KDM4E (0.51) KDM4EALDH1A1LMNAEDNRBEDNRA
SCHEMBL21753455 0.83 KDM4E (0.50) KDM4EALDH1A1LMNAEDNRBEDNRA
SCHEMBL28879392 0.80 CYP1A2 (0.49) KDM4EALDH1A1EDNRBEDNRACYP1A2
SCHEMBL9467440 0.77 CYP1A2 (0.46) ALDH1A1EDNRBEDNRACYP1A2CYP2C9
SCHEMBL14877345 0.76 LMNA (0.59) KDM4EALDH1A1LMNAF2MAPT
SCHEMBL9545932 0.74 NPSR1 (0.65) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL27302783 0.73 KMT2A (0.50) KDM4EALDH1A1LMNAMAPTKMT2A
Carbamic Acid SCHEMBL28732757 0.72 KMT2A (0.50) KDM4EALDH1A1LMNAEDNRBEDNRA
SCHEMBL27977538 0.72 LMNA (0.66) KDM4EALDH1A1LMNAEDNRBEDNRA
Benzoyl Peroxide SCHEMBL27919556 0.71 LMNA (0.85) ALDH1A1LMNAF2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124477-B Novel pyrimidine salicylic acid phenolic ester, synthetic method thereof and application of pyrimidine salicylic acid phenolic ester as herbicide 中国农业大学 2024-05-10 — — CN disclosed
CN-115124477-A Novel pyrimidine salicylic acid phenolic ester, synthetic method thereof and application thereof as herbicide 中国农业大学 2022-09-30 — — CN disclosed
CN-109303051-B Thickening composition for glufosinate-ammonium and bispyribac-sodium and preparation method and application thereof 江苏钟山化工有限公司 2021-06-01 — — CN disclosed
WO-2014128719-A2 PROCESSES FOR THE PREPARATION OF BISPYRIBAC SODIUM AND INTERMEDIATES THEREOF GHARDA CHEMICALS LTD (IN) 2014-08-28 — — WO disclosed
US-5756422-A PLANT SAFENING AGENTS HOECHST SCHERING AGREVO GMBH (DE) 1998-05-26 — — US disclosed
US-5739079-A CEREAL, RICE, CORN CROP SAFENER MIXED WITH WEED HERBICIDE HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-14 — — US disclosed
EP-0287079-A2 2-Phenoxypyrimidine derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-10-19 — — EP disclosed
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