SCHEMBL4635019

SCHEMBL4635019

CCOC(=O)Oc1sc2ccccc2c1OCC(=O)c1ccc(OC)c(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.48
LMNA P02545 4/20 0.48
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NOD2 Q9HC29 1/20 0.39
F10 P00742 2/20 0.39
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL4633530 0.88 L3MBTL1 (0.60) MAPTLMNAGAANPSR1L3MBTL1
SCHEMBL4634501 0.86 MAPT (0.60) MAPTLMNAGAANPSR1L3MBTL1
SCHEMBL4634465 0.86 L3MBTL1 (0.50) MAPTLMNAGAANPSR1L3MBTL1
SCHEMBL4634997 0.82 PTPN2 (0.47) MAPTLMNAGAANPSR1L3MBTL1
SCHEMBL4632923 0.81 KMT2A (0.47) MAPTLMNAGAANPSR1L3MBTL1
SCHEMBL4632948 0.80 KMT2A (0.56) MAPTLMNAGAANPSR1L3MBTL1
SCHEMBL4605523 0.79 MAPT (0.43) MAPTLMNAGAANPSR1L3MBTL1
SCHEMBL4633609 0.79 LMNA (0.54) MAPTLMNAGAANPSR1L3MBTL1
SCHEMBL4632947 0.79 KMT2A (0.57) MAPTLMNAGAANPSR1L3MBTL1
SCHEMBL4633861 0.78 ALDH1A1 (0.48) MAPTLMNAGAANPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685121-B1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2008-06-11 EP claimed