SCHEMBL7035586

SCHEMBL7035586

CCOC(=O)C(C)(C(=O)OCC)c1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.52
MAPT P10636 6/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
GPR55 Q9Y2T6 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
FBP1 P09467 5/20 0.46
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 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
SCHEMBL3799754 0.90 THRB (0.52) THRBMAPTHTTLMNANPSR1
SCHEMBL11275525 0.86 THRB (0.48) THRBMAPTHTTLMNANPSR1
SCHEMBL142930 0.84 THRB (0.44) THRBMAPTHTTLMNANPSR1
SCHEMBL11278337 0.82 AR (0.48) MAPTHTTLMNACYP1A2CYP3A4
SCHEMBL11852183 0.80 MAPK1 (0.50) MAPTHTTLMNANPSR1GPR55
SCHEMBL11852169 0.80 MAPK1 (0.50) MAPTHTTLMNANPSR1GPR55
SCHEMBL11152796 0.80 NPSR1 (0.46) THRBMAPTLMNANPSR1CYP2C19
SCHEMBL11496400 0.80 THRB (0.53) THRBMAPTHTTLMNANPSR1
SCHEMBL7035878 0.79 ALDH1A1 (0.52) THRBMAPTLMNANPSR1CYP1A2
SCHEMBL28537382 0.79 THRB (0.42) THRBMAPTHTTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922704-B1 PROCESS FOR PREPARING 2-(10,11-DIHYDRO-10-OXODIBENZO b,f]THIEPIN-2-YL)PROPIONIC ACID AND INTERMEDIATES THEREFOR NIPPON CHEMIPHAR CO (JP) 2003-03-05 EP disclosed
US-6111115-A Preparation of 2-(10,11-dihydro-10-oxodibenzo-[b,f]thiepin-2-yl) propionic acid NIPPON CHEMIPHAR CO., LTD. (JP) 2000-08-29 US disclosed
EP-0922704-A1 PROCESS FOR PREPARING 2-(10,11-DIHYDRO-10-OXODIBENZO b,f]THIEPIN-2-YL)PROPIONIC ACID AND INTERMEDIATES THEREFOR NIPPON CHEMIPHAR CO., LTD. (JP) 1999-06-16 EP disclosed
EP-0032620-B2 Process for preparing therapeutic 2-arylpropionic acids and esters, and novel arylmethylmalonate esters THE UPJOHN COMPANY (US) 1987-02-04 EP disclosed
EP-0032620-B1 Process for preparing therapeutic 2-arylpropionic acids and esters, and novel arylmethylmalonate esters THE UPJOHN COMPANY (US) 1984-05-30 EP disclosed
US-4398035-A INTERMEDIATE FOR FLURBIPROFEN THE UPJOHN COMPANY (US) 1983-08-09 US disclosed
US-4337264-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND FUNGICIDES CIBA-GEIGY CORPORATION (US) 1982-06-29 US disclosed
US-4324904-A COMPOUND USEFUL IN MAKING FLURBIPROFEN THE UPJOHN COMPANY (US) 1982-04-13 US disclosed
US-4316850-A ANTINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1982-02-23 US disclosed
US-4266069-A Processes for the preparation of hydratropic acids and esters THE UPJOHN COMPANY (US) 1981-05-05 US disclosed
US-4264619-A Tertiary aminoacids CIBA-GEIGY CORPORATION (US) 1981-04-28 US disclosed
US-4163788-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1979-08-07 US disclosed
US-4126691-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1978-11-21 US disclosed