SCHEMBL6963200

SCHEMBL6963200

[2H]C([2H])(C)OC(=O)CCOc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
CYP1A2 P05177 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP3A4 P08684 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
HIF1A Q16665 1/20 0.49
GMNN O75496 1/20 0.49
APEX1 P27695 1/20 0.49
PMP22 Q01453 1/20 0.49
HTT P42858 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
NR4A1 P22736 1/20 0.40

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
SCHEMBL10847424 0.87 LMNA (0.50) ALDH1A1MAPTCYP1A2SMN1; SMN2NPSR1
SCHEMBL10840125 0.86 CYP1A2 (0.46) ALDH1A1MAPTCYP1A2SMN1; SMN2NPSR1
SCHEMBL28376683 0.85 ALDH1A1 (0.53) ALDH1A1MAPTCYP1A2SMN1; SMN2NPSR1
SCHEMBL8299472 0.84 ALDH1A1 (0.53) ALDH1A1MAPTCYP1A2SMN1; SMN2NPSR1
SCHEMBL6971571 0.81 ALDH1A1 (0.43) ALDH1A1MAPTCYP1A2SMN1; SMN2NPSR1
SCHEMBL18580631 0.81 CYP1A2 (0.54) ALDH1A1MAPTCYP1A2SMN1; SMN2NPSR1
SCHEMBL8881655 0.79 ALDH1A1 (0.58) ALDH1A1MAPTCYP1A2SMN1; SMN2NPSR1
SCHEMBL1905519 0.79 SMN1; SMN2 (0.55) ALDH1A1MAPTCYP1A2SMN1; SMN2NPSR1
SCHEMBL21471161 0.79 HTT (0.58) ALDH1A1MAPTCYP1A2SMN1; SMN2NPSR1
SCHEMBL18580611 0.78 ALDH1A1 (0.53) ALDH1A1MAPTCYP1A2SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912528-B1 PROCESSES FOR PRODUCING PHENOXY PROPIONIC ACID DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-05-28 EP claimed
US-6136977-A Processes for producing phenoxy propionic acid derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-24 US claimed
EP-0912528-B1 PROCESSES FOR PRODUCING PHENOXY PROPIONIC ACID DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-05-28 EP disclosed
US-6136977-A Processes for producing phenoxy propionic acid derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-24 US disclosed
EP-0912528-A1 PROCESSES FOR PRODUCING PHENOXY PROPIONIC ACID DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-05-06 EP disclosed
WO-1997046538-A1 PROCESSES FOR PRODUCING PHENOXY PROPIONIC ACID DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-11 WO disclosed
EP-0180126-B1 PROCESS FOR PREPARING 2-(4-HYDROXYPHENOXY)ALKANOIC ACID COMPOUNDS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-01-18 EP disclosed
US-4665212-A Process for preparing 2-(4-hydroxyphenoxy) alkanoic acid compounds NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1987-05-12 US disclosed
EP-0180126-A2 Process for preparing 2-(4-hydroxyphenoxy)alkanoic acid compounds NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-05-07 EP disclosed