SCHEMBL15546178

SCHEMBL15546178

COc1ccc(-c2sccc2CC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
MMP2 P08253 3/20 0.49
MMP12 P39900 3/20 0.49
MMP9 P14780 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MMP8 P22894 2/20 0.48
MMP13 P45452 2/20 0.48
MMP14 P50281 2/20 0.48
MMP16 P51512 2/20 0.48
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
PTGDR2 Q9Y5Y4 3/20 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
SCHEMBL14646192 0.85 KMT2A (0.52) KDM4EALDH1A1HPGDMMP2MMP12
SCHEMBL16893495 0.83 GRM6 (0.48) KDM4EALDH1A1HPGDKMT2ATP53
SCHEMBL1520751 0.80 KMT2A (0.71) KDM4EALDH1A1MMP2MMP12MMP9
SCHEMBL5823015 0.80 KMT2A (0.56) KDM4EALDH1A1HPGDMMP2MMP9
SCHEMBL15546606 0.80 KMT2A (0.53) KDM4EALDH1A1HPGDKMT2ATP53
SCHEMBL14645421 0.78 KMT2A (0.54) KDM4EALDH1A1HPGDKMT2ATP53
SCHEMBL7076248 0.78 SMN1; SMN2 (0.54) KDM4EALDH1A1HPGDRXFP1PTGS2
SCHEMBL16904657 0.75 RXFP1 (0.66) KDM4EALDH1A1HPGDMMP2MMP12
SCHEMBL28052606 0.75 KDM4E (0.49) KDM4EALDH1A1HPGDMMP2MMP12
SCHEMBL5057664 0.75 KMT2A (0.46) KDM4EALDH1A1HPGDKMT2ATP53

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-2875010-B1 THIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES METABRAIN RES (FR) 2016-08-31 EP disclosed
EP-2875010-A1 THIOPHENE DERIVATIVES USED IN THE TREATMENT OF DIABETES Metabrain Research (FR) 2015-05-27 EP disclosed
WO-2014013181-A1 THIOPHENE DERIVATIVES USED IN THE TREATMENT OF DIABETES METABRAIN RESEARCH (FR) 2014-01-23 WO disclosed