SCHEMBL5313340

SCHEMBL5313340

O=C(CC(C(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.72
GSK3B P49841 2/20 0.60
PTPN1 P18031 2/20 0.60
KMT2A Q03164 5/20 0.58
MAPT P10636 4/20 0.58
MEN1 O00255 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPK1 P28482 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
HPGD P15428 2/20 0.58
KDM4E B2RXH2 2/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
CES1 P23141 1/20 0.58
ALDH1A1 P00352 4/20 0.56
GAA P10253 1/20 0.56
TRPA1 O75762 1/20 0.54
HIF1A Q16665 1/20 0.54
NPC1 O15118 1/20 0.53
L3MBTL1 Q9Y468 6/20 0.52

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
SCHEMBL10958829 0.89 TSHR (0.64) TSHRGSK3BPTPN1KMT2AMAPT
SCHEMBL9019003 0.87 TSHR (0.62) TSHRGSK3BPTPN1KMT2AMAPT
SCHEMBL8537118 0.87 PTPN1 (0.66) TSHRGSK3BPTPN1MAPTSMN1; SMN2
SCHEMBL10645702 0.87 TSHR (0.62) TSHRGSK3BPTPN1KMT2AMAPT
SCHEMBL7594104 0.84 TSHR (0.58) TSHRGSK3BPTPN1KMT2AMAPT
SCHEMBL6276435 0.82 TSHR (0.67) TSHRGSK3BPTPN1KMT2AMAPT
SCHEMBL4967701 0.82 TSHR (0.67) TSHRGSK3BPTPN1KMT2AMAPT
SCHEMBL8076205 0.82 TSHR (0.67) TSHRGSK3BPTPN1KMT2AMAPT
SCHEMBL10862020 0.81 TSHR (0.55) TSHRGSK3BPTPN1KMT2AMAPT
SCHEMBL9019025 0.81 TSHR (0.55) TSHRGSK3BPTPN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US disclosed
US-6392089-B1 DEBLOCKING USING RADIATION UNIVERSITY OF MARYLAND 2002-05-21 US disclosed
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
CN-1216522-A Therapeutic agent for diabetes JAPAN TOBACCO INC (JP) 1999-05-12 CN disclosed
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP disclosed