SCHEMBL4633849

SCHEMBL4633849

COc1ccccc1OCCOc1c(C(=O)O)sc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.52
MCL1 Q07820 3/20 0.51
BCL2 P10415 1/20 0.51
BCL2L1 Q07817 1/20 0.51
BAD Q92934 1/20 0.51
LMNA P02545 4/20 0.50
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 2/20 0.49
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
SENP5 Q96HI0 2/20 0.46
SENP2 Q9HC62 2/20 0.46
SENP1 Q9P0U3 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
EDNRA P25101 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL4605365 0.89 LMNA (0.56) CXCR2MCL1BCL2BCL2L1BAD
SCHEMBL1381986 0.85 MAPT (0.69) CXCR2MCL1BCL2BCL2L1BAD
SCHEMBL4635087 0.85 MCL1 (0.70) CXCR2MCL1BCL2BCL2L1BAD
SCHEMBL4634438 0.84 MCL1 (0.54) CXCR2MCL1BCL2BCL2L1BAD
SCHEMBL9024044 0.82 CXCR2 (0.54) CXCR2MCL1BCL2BCL2L1BAD
SCHEMBL4633866 0.82 CXCR2 (0.67) CXCR2MCL1BCL2BCL2L1BAD
SCHEMBL4633954 0.81 MAPT (0.55) CXCR2MCL1BCL2BCL2L1BAD
SCHEMBL1098130 0.80 MCL1 (0.57) CXCR2MCL1LMNAMAPTL3MBTL1
SCHEMBL25274266 0.80 PTPN2 (0.53) CXCR2MCL1BCL2BCL2L1BAD
SCHEMBL4635058 0.80 CXCR2 (0.58) CXCR2MCL1BCL2BCL2L1BAD

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