SCHEMBL3830677

SCHEMBL3830677

C=CCOC(=O)C(C)Oc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.41
ALDH2 P05091 1/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38

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
SCHEMBL10489916 0.96 MAPT (0.47) LMNAL3MBTL1ALDH1A1KDM4ETP53
SCHEMBL10598197 0.89 CA12 (0.43) LMNAL3MBTL1ALDH1A1KDM4ETP53
SCHEMBL10343500 0.86 CYP1A2 (0.50) LMNAL3MBTL1ALDH1A1KMT2ACYP1A2
SCHEMBL10659232 0.86 LMNA (0.50) LMNAL3MBTL1ALDH1A1TP53HPGD
SCHEMBL11191919 0.86 LMNA (0.47) LMNAL3MBTL1ALDH1A1TP53ALDH2
SCHEMBL10489918 0.85 KMT2A (0.58) LMNAL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL9839653 0.85 LMNA (0.42) LMNAL3MBTL1ALDH1A1KDM4ETP53
SCHEMBL9621303 0.80 LMNA (0.66) LMNAL3MBTL1ALDH1A1ALDH2KMT2A
SCHEMBL5789381 0.80 LMNA (0.66) LMNAL3MBTL1ALDH1A1ALDH2KMT2A
SCHEMBL2481397 0.80 LMNA (0.66) LMNAL3MBTL1ALDH1A1ALDH2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61135600-A None JP disclosed
JP-61135600-A None JP disclosed
JP-56034672-A None JP disclosed
EP-1367132-B1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE PROPOXYANILINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2009-08-12 EP disclosed
US-5801272-A Preparation of mixtures of (R)- and (S)-2-(4-alkanoylphenoxy)- or (R)- and (S)-2-(4-aroylphenoxy)propionic esters BASF AKTIENGESELLSCHAFT (DE) 1998-09-01 US disclosed
EP-0701547-B1 THE PREPARATION OF MIXTURES OF (R)- AND (S)-2-(4-ALKANOYLPHENOXY)- OR (R)- AND (S)-2-(4-AROYLPHENOXY)PROPIONIC ESTERS BASF AG (DE) 1998-07-29 EP disclosed
EP-0701547-A1 THE PREPARATION OF MIXTURES OF (R)- AND (S)-2-(4-ALKANOYLPHENOXY)- OR (R)- AND (S)-2-(4-AROYLPHENOXY)PROPIONIC ESTERS BASF AKTIENGESELLSCHAFT (DE) 1996-03-20 EP disclosed
EP-0344746-B1 An improved process for the minimization of racemization in the preparation of optically active ((aryloxy) phenoxy) propionate herbicides DOWELANCO (US) 1994-12-21 EP disclosed
WO-1994027950-A1 THE PREPARATION OF MIXTURES OF (R)- AND (S)-2-(4-ALKANOYLPHENOXY)- OR (R)- AND (S)-2-(4-AROYLPHENOXY)PROPIONIC ESTERS BASF AKTIENGESELLSCHAFT (DE) 1994-12-08 WO disclosed
US-4908476-A Synthesis of 2-(4-hydroxyphenoxy)alkanoic acids HOECHST CELANESE CORPORATION (US) 1990-03-13 US disclosed
EP-0082699-B1 HERBICIDAL QUINOXALINYL ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-13 EP disclosed
US-4536208-A Certain naphthyridine diether compounds and their herbicidal use THE DOW CHEMICAL COMPANY (US) 1985-08-20 US disclosed
US-4533381-A Naphthyridinyloxy(or thio)phenoxy propanoic acids, derivatives thereof and methods of herbicidal use THE DOW CHEMICAL COMPANY (US) 1985-08-06 US disclosed
US-4472193-A Naphthyridinyloxy(or thio)phenoxy propanoic acids, derivatives thereof and methods of herbicidal use THE DOW CHEMICAL COMPANY (US) 1984-09-18 US disclosed
EP-0024932-B1 1,2,4-BENZOTRIAZINYLOXYPHENOXYALKANE CARBOXYLIC-ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS HERBICIDES, AND THEIR PREPARATION ICI AUSTRALIA LIMITED (AU) 1984-08-01 EP disclosed
EP-0082699-A1 Herbicidal quinoxalinyl ethers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-06-29 EP disclosed
US-4368068-A PRE- AND POSTEMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-11 US disclosed
US-4309211-A Herbicidal 1,2,4-benzotriazines ICI AUSTRALIA LIMITED (AU) 1982-01-05 US disclosed
JP-S5634672-A QUINOXALINE DERIVATIVE AND HERBICIDE CONTAINING SAID DERIVATIVE AS EFFECTIVE COMPONENT NISSAN CHEM IND LTD 1981-04-06 JP disclosed
EP-0024932-A2 1,2,4-Benzotriazinyloxyphenoxyalkane carboxylic-acid derivatives, processes for their preparation, their use as herbicides, and their preparation ICI AUSTRALIA LIMITED (AU) 1981-03-11 EP disclosed