SCHEMBL4437503

SCHEMBL4437503

O=C(O)CCc1cc2ccccc2[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KDM4E B2RXH2 10/20 0.52
TSHR P16473 5/20 0.52
DAO P14920 1/20 0.51
DDO Q99489 1/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 3/20 0.51
IL4I1 Q96RQ9 1/20 0.51
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL5678790 0.84 MAPK1 (0.61) MAPK1NPSR1KDM4ETSHRDAO
SCHEMBL30434363 0.84 MAPK1 (0.61) MAPK1NPSR1KDM4ETSHRDAO
SCHEMBL28019335 0.82 TSHR (0.57) MAPK1NPSR1KDM4ETSHRDAO
Bicarbonate SCHEMBL6993932 0.81 MAPK1 (0.61) MAPK1NPSR1KDM4ETSHRDAO
SCHEMBL4425832 0.81 DAO (0.55) KDM4ETSHRDAODDOALDH1A1
SCHEMBL4428108 0.80 KDM4E (0.60) MAPK1NPSR1KDM4ETSHRALDH1A1
Trifluoroacetic Acid SCHEMBL30355103 0.80 MAPK1 (0.51) MAPK1NPSR1KDM4ETSHRDAO
SCHEMBL29417817 0.80 MTNR1A (0.60) MAPK1KDM4EDAOALDH1A1HPGD
SCHEMBL606161 0.80 MTNR1A (0.60) MAPK1KDM4EDAOALDH1A1HPGD
SCHEMBL7646960 0.79 DAO (0.53) MAPK1NPSR1KDM4ETSHRDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125813-A2 COMPOUNDS Glaxo Group Limited (GB) 2009-12-02 EP disclosed
WO-2008116815-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
US-5710139-A Heterocyclic compounds ASTRA AB (SE) 1998-01-20 US disclosed
EP-0736032-A1 HETEROCYCLIC COMPOUNDS Astra Aktiebolag (SE) 1996-10-09 EP disclosed
WO-1995017410-A1 HETEROCYCLIC COMPOUNDS ASTRA AKTIEBOLAG (SE) 1995-06-29 WO disclosed