SCHEMBL1538043

SCHEMBL1538043

CC(Oc1ccccc1)(Oc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
PPARG P37231 10/20 0.46
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2C9 P11712 1/20 0.42
PPARD Q03181 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
FABP2 P12104 1/20 0.41
SLC22A12 Q96S37 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
Water SCHEMBL28074674 0.98 PPARA (0.46) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL4651825 0.90 PPARG (0.43) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL11587325 0.89 SRD5A2 (0.53) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL11300769 0.89 CYP19A1 (0.44) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL27693075 0.87 CTNNB1 (0.46) PPARAKMT2APPARGL3MBTL1ALDH1A1
SCHEMBL28137514 0.86 PPARG (0.41) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL11302900 0.86 PPARA (0.47) PPARAMEN1KMT2AMAPTPPARG
SCHEMBL27568501 0.85 PDK1 (0.41) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL11513547 0.84 L3MBTL1 (0.42) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL1967963 0.83 TSHR (0.42) PPARACYP2C19MEN1KMT2ACYP1A2

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 601 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510338-A Natural naphthoquinone derivative and preparation method and application thereof 贵州大学 2024-02-06 CN claimed
CN-113226040-A Compositions and methods for reducing pesticide-induced plant damage and increasing plant yield 美国赛多美科技有限公司 2021-08-06 CN claimed
CN-106479920-B Aryloxy phenoxy propionic acid herbicide degradation strain and application thereof 南京工业大学 2019-11-26 CN claimed
CN-106554980-B A method of starch is produced using single needle algae 中国石油化工股份有限公司 2019-11-15 CN claimed
CN-109938029-A A kind of fragrant phenoxy phenoxy propionic acid Herbicidal combinations of brassinolide-containing class compound 江西鑫邦科技有限责任公司 2019-06-28 CN claimed
CN-109479891-A A kind of Herbicidal combinations and its application containing halosulfuronmethyl 安徽远景作物保护有限公司 2019-03-19 CN claimed
CN-108118073-A A kind of method that 2,3- butanediols are produced using microalgae as raw material 中国石油化工股份有限公司 2018-06-05 CN claimed
CN-107012132-A Aryloxy phenoxy propionic acid herbicide hydrolysis esterase and application thereof 南京工业大学 2017-08-04 CN claimed
CN-106554980-A A kind of method that utilization single needle algae produces starch 中国石油化工股份有限公司 2017-04-05 CN claimed
CN-106479920-A Aryloxy phenoxy propionic acid herbicide degradation strain and application thereof 南京工业大学 2017-03-08 CN claimed
EP-1251736-B1 TENSIDE/SOLVENT SYSTEMS BAYER CROPSCIENCE GMBH (DE) 2005-02-09 EP claimed
US-6627595-B2 Liquid phase AVENTIS CROPSCIENCE GMBH (DE) 2003-09-30 US claimed
EP-1209972-B1 HERBICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2003-05-28 EP claimed
EP-1209972-A1 HERBICIDAL COMPOSITION Syngenta Participations AG (CH) 2002-06-05 EP claimed
WO-2001017351-A1 HERBICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2001-03-15 WO claimed
US-5585327-A PRE- AND POST-EMERGENCE HERBICIDES ZENECA LIMITED (GB) 1996-12-17 US claimed
US-4707182-A Phenoxine-ketal ethers, compositions containing them and the use thereof CIBA-GEIGY CORPORATION (US) 1987-11-17 US claimed
US-4576628-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-03-18 US claimed
US-4532732-A PLANT SAFENING AGENTS AND CHLOROACETANILIDE HERBICIDES FOR SERGHUM, RICE AND BARLEY CIBA-GEIGY CORPORATION (US) 1985-08-06 US claimed
US-4530716-A Plant safening agent CIBA-GEIGY CORPORATION (US) 1985-07-23 US claimed