SCHEMBL2801646

SCHEMBL2801646

O=C(O)CC1=COc2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.39
ABCC4 O15439 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
PTGS1 P23219 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
FFAR1 O14842 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR4A2 P43354 1/20 0.32
PPARG P37231 1/20 0.32
MTNR1A P48039 1/20 0.32
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2800932 0.75 TDP1 (0.34) TDP1MTNR1A
SCHEMBL10566302 0.71 AKR1B1 (0.35) AKR1B1ABCC4LMNAGAATSHR
SCHEMBL5605784 0.68 AKR1B1 (0.38) AKR1B1ABCC4LMNAGAATSHR
SCHEMBL27848247 0.67 PTPN1 (0.50) AKR1B1ABCC4LMNAGAATSHR
SCHEMBL7290167 0.67 AKR1B1 (0.37) AKR1B1ABCC4LMNAGAATSHR
Hydrochloric Acid SCHEMBL28272710 0.67 AKR1B1 (0.39) AKR1B1GAATSHRHTTALDH1A1
SCHEMBL7827157 0.66 AKR1B1 (0.67) AKR1B1ABCC4LMNAGAATSHR
SCHEMBL7290174 0.66 AKR1B1 (0.36) AKR1B1ABCC4LMNAGAATSHR
SCHEMBL8488065 0.64 AKR1B1 (0.46) AKR1B1ABCC4LMNAGAATSHR
SCHEMBL8665717 0.64 AKR1B1 (0.38) AKR1B1ABCC4LMNAGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2058294-B1 METHOD FOR PRODUCING 2-(4-METHOXYCARBONYLMETHYLPHENOXYMETHYL)BENZOIC ACID METHYL ESTER SUMITOMO CHEMICAL CO (JP) 2013-01-02 EP claimed
EP-2058294-A1 2-(4-METHOXYCARBONYLMETHYLPHENOXYMETHYL)BENZOIC ACID METHYL ESTER AND METHOD FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-05-13 EP claimed
EP-2181989-B1 Process for the preparation of olopatadine SUMITOMO CHEMICAL CO (JP) 2013-05-22 EP disclosed
EP-2058294-B1 METHOD FOR PRODUCING 2-(4-METHOXYCARBONYLMETHYLPHENOXYMETHYL)BENZOIC ACID METHYL ESTER SUMITOMO CHEMICAL CO (JP) 2013-01-02 EP disclosed
EP-2181989-A2 Process for the preparation of olopatadine Sumitomo Chemical Company, Limited (JP) 2010-05-05 EP disclosed
CN-101506141-A Methyl 2- (4-methoxycarbonylmethylphenoxymethyl) benzoate and process for producing the same SUMITOMO CHEMICAL CO (JP) 2009-08-12 CN disclosed
CN-101506141-A Methyl 2- (4-methoxycarbonylmethylphenoxymethyl) benzoate and process for producing the same SUMITOMO CHEMICAL CO (JP) 2009-08-12 CN disclosed
EP-2072507-A1 TERTIARY ALKYL ESTER OF OXODIBENZOXEPIN ACETIC ACID Sumitomo Chemical Company, Limited (JP) 2009-06-24 EP disclosed
EP-2058294-A1 2-(4-METHOXYCARBONYLMETHYLPHENOXYMETHYL)BENZOIC ACID METHYL ESTER AND METHOD FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-05-13 EP disclosed
EP-2058294-A1 2-(4-METHOXYCARBONYLMETHYLPHENOXYMETHYL)BENZOIC ACID METHYL ESTER AND METHOD FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-05-13 EP disclosed
JP-2008074837-A METHOD FOR PRODUCING 2-(4-CARBOXYMETHYLPHENOXY METHYL)BENZOIC ACID COMPOUND AND DIBENZOOXEPINACETIC ACID COMPOUND SUMITOMO CHEMICAL CO LTD 2008-04-03 JP disclosed
WO-2008023810-A1 2-(4-METHOXYCARBONYLMETHYLPHENOXYMETHYL)BENZOIC ACID METHYL ESTER AND METHOD FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-02-28 WO disclosed