SCHEMBL8306652

SCHEMBL8306652

COC(=O)Cc1cc2ccccc2[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.59
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HSD17B10 Q99714 3/20 0.59
HPGD P15428 2/20 0.56
NPSR1 Q6W5P4 4/20 0.56
MAPK1 P28482 2/20 0.56
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
HIF1A Q16665 1/20 0.55
TSHR P16473 5/20 0.55
RXFP1 Q9HBX9 2/20 0.54
TP53 P04637 1/20 0.53
BRD4 O60885 1/20 0.53
IL4I1 Q96RQ9 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL24852766 0.87 KDM4E (0.65) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL7071513 0.83 IDH1 (0.51) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPK1
SCHEMBL7073150 0.82 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL3719191 0.82 IDH1 (0.50) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL3715876 0.82 EGFR (0.53) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL30434363 0.81 MAPK1 (0.61) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL5678790 0.81 MAPK1 (0.61) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL8686875 0.80 MTNR1A (0.56) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL24852540 0.79 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL3709499 0.79 IDH1 (0.49) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633261-B1 QUINOLINE-3-ACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF YOSHITOMI PHARMACEUTICAL (JP) 1999-04-21 EP disclosed
US-5543420-A ALDOSE REDUCTASE INHIBITORS; ANTIDIABETIC AGENTS; PREVENTION OF ACCUMULATION OF SORBITOL AND GALACTITOL IN MAMMALIAN TISSUE THE GREEN CROSS CORPORATION (JP) 1996-08-06 US disclosed
EP-0633261-A1 QUINOLINE-3-ACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF THE GREEN CROSS CORPORATION (JP) 1995-01-11 EP disclosed