SCHEMBL8327982

SCHEMBL8327982

COC(=O)C(C(=O)OC)c1c(Cl)cccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 6/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
MT-CO2 P00403 1/20 0.44
TTR P02766 1/20 0.44
PLA2G1B P04054 1/20 0.44
CYP1A2 P05177 1/20 0.44
PGR P06401 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
AR P10275 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL8327989 0.82 MMP8 (0.44) TSHRALDH1A1KMT2AHPGDMEN1
SCHEMBL8325157 0.81 FABP4 (0.43) ALDH1A1KMT2AHPGDMEN1KDM4E
SCHEMBL8323980 0.81 ALB (0.47) ALDH1A1KMT2AHPGDMEN1KDM4E
SCHEMBL4503443 0.79 SMN1; SMN2 (0.43) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8817995 0.78 TSHR (0.57) TSHRALDH1A1KMT2AHPGDMEN1
SCHEMBL28654513 0.76 TSHR (0.59) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL4500753 0.75 TSHR (0.53) TSHRALDH1A1KMT2AHPGDMEN1
SCHEMBL5786719 0.74 PTGS1 (0.45) ALDH1A1KMT2AHPGDPTGS2NPC1
SCHEMBL29444506 0.74 ALDH1A1 (0.60) TSHRALDH1A1KMT2AHPGDMEN1
SCHEMBL19210852 0.74 ALDH1A1 (0.60) TSHRALDH1A1KMT2AHPGDMEN1

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-0555327-B1 ALKYLIDENE ANALOGS OF 1'-AMINOSPIRO-[ISOQUINOLINE- 4(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONES USEFUL AS ALDOSE REDUCTASE INHIBITORS IN VIVO AMERICAN HOME PROD (US) 1999-01-13 EP disclosed
EP-0553263-B1 1'-AMINOSPIRO-[ISOQUINOLINE-4(1H),3'-PYRROLIDINE]- 1,2',3,5'(2H)-TETRONES AND ANALOGS THEREOF USEFUL AS ALDOSE REDUCTASE INHIBITORS IN VIVO AMERICAN HOME PROD (US) 1998-08-05 EP disclosed
EP-0555327-A1 ALKYLIDENE ANALOGS OF 1'-AMINOSPIRO-[ISOQUINOLINE- 4(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONES USEFUL AS ALDOSE REDUCTASE INHIBITORS IN VIVO AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-18 EP disclosed
EP-0553263-A1 1'-AMINOSPIRO-[ISOQUINOLINE-4(1H),3'-PYRROLIDINE]- 1,2',3,5'(2H)-TETRONES AND ANALOGS THEREOF USEFUL AS ALDOSE REDUCTASE INHIBITORS IN VIVO AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-04 EP disclosed
EP-0519600-A1 Process and intermediate for making isoquinoline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1992-12-23 EP disclosed
US-5130425-A Antidiabetic agents spiro azetidine-2,4'(1'H)-isoquinoline! 1',3',4(2'H)-triones AMERICAN HOME PRODUCTS CORPORATION (US) 1992-07-14 US disclosed
WO-1992006974-A1 ALKYLIDENE ANALOGS OF 1'-AMINOSPIRO[ISOQUINOLINE-4(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONES USEFUL AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-30 WO disclosed
WO-1992006975-A1 1'-AMINOSPIRO[ISOQUINOLINE-4(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONES AND ANALOGS THEREOF USEFUL AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-30 WO disclosed
US-5106978-A Process and intermediates for the preparation of spiro(isoquinoline-4(1H), 3'-pyrrolidine)-1,2', 3,5'(2H)-tetrones which are useful as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-21 US disclosed
US-5102886-A 1'-aminospiro[isoquinoline-4(1H),3'-pyrrolidine]-1,2',3,5'(2H)-tetrones and analogs thereof useful as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-07 US disclosed
US-5081241-A Diabetes AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-14 US disclosed
US-5068332-A Antidiabetic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-11-26 US disclosed