SCHEMBL9027786

SCHEMBL9027786

Cc1ccccc1CCC1=C(O)CC(CCC(C)C)(c2ccccc2)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.37
GPR84 Q9NQS5 1/20 0.33
DAO P14920 2/20 0.33
EGFR P00533 1/20 0.33
UTS2R Q9UKP6 3/20 0.32
ADRB1 P08588 2/20 0.32
ADRB2 P07550 1/20 0.32
DHODH Q02127 1/20 0.31
AKT1 P31749 1/20 0.31

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
SCHEMBL6602958 0.90 LDHA (0.38) LDHAEGFRUTS2RAKT1
SCHEMBL9026445 0.87 ALDH1A1 (0.38) LDHAGPR84DAOEGFRUTS2R
SCHEMBL6606198 0.87 LDHA (0.39) LDHAEGFRUTS2RDHODH
SCHEMBL6604489 0.81 LDHA (0.40) LDHAEGFRUTS2RDHODHAKT1
SCHEMBL6604227 0.81 LDHA (0.46) LDHAEGFRUTS2R
SCHEMBL6603727 0.81 LDHA (0.37) LDHAEGFRUTS2R
SCHEMBL9026058 0.79 LDHA (0.43) LDHAGPR84DAO
SCHEMBL6603974 0.78 ALDH1A1 (0.38) LDHADAOEGFRUTS2R
SCHEMBL9027789 0.77 LDHA (0.38) LDHAEGFRUTS2RAKT1
SCHEMBL6604662 0.77 LDHA (0.36) LDHADAOEGFRUTS2R

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-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP disclosed