SCHEMBL6606237

SCHEMBL6606237

Cc1ccccc1CC1=C(O)CC(c2ccccc2)(c2ccccc2)OC1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LDHA P00338 8/20 0.43
LDHB P07195 7/20 0.43
CNR2 P34972 2/20 0.36
GPR55 Q9Y2T6 2/20 0.36
TYMP P19971 1/20 0.34
FFAR1 O14842 1/20 0.33
AR P10275 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CTBP2 P56545 1/20 0.32

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
SCHEMBL9026058 0.88 LDHA (0.43) LDHALDHB
SCHEMBL6609876 0.84 LDHA (0.55) LDHALDHB
SCHEMBL6603648 0.84 LDHA (0.41) LDHALDHBGPR55
SCHEMBL6605274 0.82 LDHA (0.42) LDHALDHB
SCHEMBL6604456 0.82 LDHA (0.48) LDHALDHBALDH1A1
SCHEMBL6603974 0.80 ALDH1A1 (0.38) LDHACNR2GPR55FFAR1ALDH1A1
SCHEMBL6602958 0.79 LDHA (0.38) LDHACNR2GPR55FFAR1
SCHEMBL6605852 0.79 LDHA (0.41) LDHALDHBALDH1A1
SCHEMBL6604881 0.77 LDHA (0.36) LDHALDHB
SCHEMBL9046037 0.75 LDHA (0.54) LDHALDHB

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 8 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-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-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