SCHEMBL3714543

SCHEMBL3714543

CC(C(=O)O)(C(=O)O)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TTR P02766 1/20 0.42
APP P05067 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 2/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.41
GLA P06280 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TSHR P16473 2/20 0.41
CASP6 P55212 1/20 0.40
GPR35 Q9HC97 1/20 0.40
MAPT P10636 3/20 0.39
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39

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
SCHEMBL3714548 1.00 ATM (0.50) ATMTDP1TTRAPPALDH1A1
SCHEMBL28537382 0.86 THRB (0.42) ATMTDP1TTRALDH1A1HTT
SCHEMBL11155059 0.84 NPSR1 (0.54) ATMTDP1TTRALDH1A1HTT
SCHEMBL10779478 0.82 ATM (0.45) ATMTDP1TTRAPPALDH1A1
SCHEMBL10779486 0.82 ATM (0.45) ATMTDP1TTRAPPALDH1A1
SCHEMBL12724984 0.82 TDP1 (0.58) ATMTDP1TTRALDH1A1HTT
SCHEMBL11852183 0.81 MAPK1 (0.50) TDP1TTRALDH1A1HTTNPC1
SCHEMBL11852169 0.81 MAPK1 (0.50) TDP1TTRALDH1A1HTTNPC1
SCHEMBL11149736 0.80 ATM (0.43) ATMTDP1TTRAPPALDH1A1
SCHEMBL142930 0.80 THRB (0.44) ATMTDP1TTRALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0032620-B2 Process for preparing therapeutic 2-arylpropionic acids and esters, and novel arylmethylmalonate esters THE UPJOHN COMPANY (US) 1987-02-04 EP claimed
WO-2010106016-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2010-09-23 WO disclosed
WO-2004073705-A1 1-PHENYL-2- MONOALKYL CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CHIESI FARMACEUTICI S.P.A. (IT) 2004-09-02 WO 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-0135249-B1 STYRENE DERIVATIVES TAISHO PHARMACEUTICAL CO. LTD (JP) 1986-11-12 EP disclosed
US-4557871-A Novel styrene derivatives of the general formula TAISHO PHARMACEUTICAL CO., LTD. (JP) 1985-12-10 US disclosed
EP-0135249-A1 Styrene derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1985-03-27 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-4398035-A INTERMEDIATE FOR FLURBIPROFEN THE UPJOHN COMPANY (US) 1983-08-09 US disclosed
US-4324904-A COMPOUND USEFUL IN MAKING FLURBIPROFEN THE UPJOHN COMPANY (US) 1982-04-13 US disclosed
US-4324904-A COMPOUND USEFUL IN MAKING FLURBIPROFEN THE UPJOHN COMPANY (US) 1982-04-13 US disclosed
EP-0032620-A1 Process for preparing therapeutic 2-arylpropionic acids and esters, and novel arylmethylmalonate esters THE UPJOHN COMPANY (US) 1981-07-29 EP disclosed
US-4266069-A Processes for the preparation of hydratropic acids and esters THE UPJOHN COMPANY (US) 1981-05-05 US disclosed
US-4266069-A Processes for the preparation of hydratropic acids and esters THE UPJOHN COMPANY (US) 1981-05-05 US disclosed