SCHEMBL4666090

SCHEMBL4666090

CCOC(=O)Oc1sc2ccccc2c1OCCOc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.53
BCL2 P10415 2/20 0.53
BCL2L1 Q07817 2/20 0.53
BAD Q92934 2/20 0.53
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
NOD2 Q9HC29 1/20 0.46
TSHR P16473 1/20 0.44
F9 P00740 1/20 0.41
HTR1B P28222 1/20 0.41

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
SCHEMBL4634984 0.88 LMNA (0.45) MCL1BCL2BCL2L1BADLMNA
SCHEMBL4633609 0.88 LMNA (0.54) MCL1BCL2BCL2L1BADLMNA
SCHEMBL4634058 0.85 MAPT (0.59) MCL1BCL2BCL2L1BADLMNA
SCHEMBL4635043 0.84 CXCR2 (0.55) MCL1BCL2BCL2L1BADLMNA
SCHEMBL4633878 0.83 CXCR2 (0.46) LMNAGAAMAPTNPSR1L3MBTL1
SCHEMBL4633540 0.81 CXCR2 (0.51) MCL1BCL2BCL2L1BADLMNA
SCHEMBL4633576 0.81 KMT2A (0.50) MCL1BCL2BCL2L1BADLMNA
SCHEMBL4633952 0.79 CXCR2 (0.44) LMNAGAAMAPTNPSR1L3MBTL1
SCHEMBL4632910 0.78 KMT2A (0.52) LMNAGAAMAPTNPSR1L3MBTL1
SCHEMBL4635087 0.78 MCL1 (0.70) MCL1BCL2BCL2L1BADALDH1A1

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