SCHEMBL6959798

SCHEMBL6959798

O=c1oc(-c2ccccc2)cc(O)c1Cc1ccccc1SC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABCB1 P08183 3/20 0.38
CDK5 Q00535 5/20 0.35
CDK5R1 Q15078 5/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34

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
SCHEMBL6966209 0.85 FFAR4 (0.40) SMN1; SMN2POLBL3MBTL1ABCB1CDK5
SCHEMBL8538658 0.82 ABCB1 (0.44) SMN1; SMN2POLBL3MBTL1ABCB1CDK5
SCHEMBL8945662 0.77 NQO1 (0.57) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6957976 0.76 P2RY12 (0.35) KMT2AALDH1A1
SCHEMBL7377011 0.76 SMN1; SMN2 (0.40) SMN1; SMN2POLBL3MBTL1ABCB1CDK5
SCHEMBL7372334 0.76 SMN1; SMN2 (0.40) SMN1; SMN2POLBL3MBTL1ABCB1CDK5
SCHEMBL7374063 0.76 SMN1; SMN2 (0.40) SMN1; SMN2POLBL3MBTL1ABCB1CDK5
SCHEMBL6964760 0.75 PTGDR2 (0.41) SMN1; SMN2POLBL3MBTL1ABCB1MEN1
SCHEMBL6959222 0.74 ALDH1A1 (0.43) SMN1; SMN2POLBL3MBTL1ABCB1MEN1
SCHEMBL9038100 0.73 SMN1; SMN2 (0.37) SMN1; SMN2POLBL3MBTL1ABCB1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP claimed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP claimed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO claimed
EP-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP disclosed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed