SCHEMBL6604536

SCHEMBL6604536

Cc1cccc(C2CC(O)=CC(=O)O2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.45
ALOX12 P18054 2/20 0.45
MAOB P27338 6/20 0.43
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CYP19A1 P11511 3/20 0.42
ALOX15B O15296 1/20 0.40
HSD11B1 P28845 2/20 0.39
POLB P06746 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6607343 0.82 LDHA (0.51) CDK4CCND1CYP19A1KMT2A
SCHEMBL6607888 0.81 MAOB (0.48) MAOBPOLBKMT2A
SCHEMBL4206063 0.81 MAOB (0.49) MAOBCYP19A1POLBCRHBPCRHR2
SCHEMBL12673928 0.77 KDM4E (0.55) ALOX15ALOX12CYP19A1POLBKMT2A
SCHEMBL31607964 0.74 CYP19A1 (0.50) ALOX12MAOBCYP19A1POLBRAB9A
SCHEMBL31356720 0.73 POLB (0.54) ALOX15ALOX12MAOBCYP19A1ALOX15B
SCHEMBL6609372 0.73 ADORA3 (0.42) MAOBCYP19A1POLBCRHBPCRHR2
SCHEMBL17449876 0.72 TTR (0.65) ALOX15ALOX12MAOBCDK4CCND1
SCHEMBL6602817 0.72 ALOX12 (0.53) ALOX12CDK4CCND1CYP19A1POLB
SCHEMBL6604520 0.72 TTR (0.51) ALOX15ALOX12CYP19A1POLBKMT2A

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-1142887-B1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE DAVIS & CO (US) 2004-04-07 EP disclosed
EP-0729463-B1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2002-05-22 EP disclosed
EP-1142887-A1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE, DAVIS & COMPANY (US) 2001-10-10 EP disclosed
US-5936128-A BENZENETHIOL COMPOUNDS AS INTERMEDIATES; BACTERICIDES, VIRICIDES; HIV WARNER-LAMBERT COMPANY (US) 1999-08-10 US disclosed
US-5840751-A ADMINISTERING IN THE TREATMENT OF INFECTION OR DISEASE CAUSED BY A RETROVIRUS WARNER-LAMBERT COMPANY (US) 1998-11-24 US disclosed
US-5789440-A 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents WARNER-LAMBERT COMPANY (US) 1998-08-04 US disclosed
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014012-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed