SCHEMBL5227900

SCHEMBL5227900

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
FFAR3 O14843 3/20 0.52
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 3/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
CACNA1F O60840 2/20 0.50
CACNA1D Q01668 2/20 0.50
CACNA1S Q13698 2/20 0.50
CACNA1C Q13936 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
CACNA1B Q00975 1/20 0.50
TSHR P16473 2/20 0.49
ALOX12 P18054 1/20 0.49
PDE1C Q14123 1/20 0.48
ABCC9 O60706 1/20 0.47

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
SCHEMBL7833415 0.92 ALDH1A1 (0.54) MEN1KMT2AFFAR3ALDH1A1HPGD
SCHEMBL5238694 0.87 GPR174 (0.57) FFAR3ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL7814727 0.85 ABCC9 (0.60) MEN1KMT2AGAAABCC9ABCC8
SCHEMBL5061501 0.84 FFAR3 (0.75) FFAR3KDM4E
SCHEMBL9293037 0.84 GAA (0.45) MEN1KMT2AFFAR3ALDH1A1HPGD
SCHEMBL8878451 0.84 KDM4E (0.65) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL7824821 0.83 CACNA1F (0.58) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL6910323 0.83 MEN1 (0.49) MEN1KMT2AFFAR3ALDH1A1HPGD
SCHEMBL3940339 0.81 CACNA1F (0.71) MEN1KMT2ACACNA1FCACNA1DCACNA1S
SCHEMBL3032197 0.81 CACNA1F (0.71) MEN1KMT2ACACNA1FCACNA1DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812080-B1 GPR41 AND MODULATORS THEREOF FOR THE TREATMENT OF INSULIN-RELATED DISORDERS ARENA PHARM INC (US) 2014-07-09 EP disclosed
EP-1812080-A2 GPR41 AND MODULATORS THEREOF FOR THE TREATMENT OF INSULIN-RELATED DISORDERS Arena Pharmaceuticals, Inc. (US) 2007-08-01 EP disclosed
WO-2006052566-A2 GPR41 AND MODULATORS THEREOF FOR THE TREATMENT OF INSULIN-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed
EP-0665834-B1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ASTRAZENECA AB (SE) 2001-05-30 EP disclosed
US-5622964-A ADMINISTERING 4,6,7,8-TETRAHYDRO-5(1H)-QUINOLONE DERIVATIVE TO TREAT ASTHMA IN MAMMALS ZENECA LIMITED (GB) 1997-04-22 US disclosed
US-5455253-A For urinary incontinence ZENECA LIMITED (GB) 1995-10-03 US disclosed
EP-0665834-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1995-08-09 EP disclosed
WO-1994008966-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1994-04-28 WO disclosed