SCHEMBL6684596

SCHEMBL6684596

CC(C)(C)c1cc2c(cc1Cl)C[C@@H](OC(=O)O)[C@@H](C(F)(F)F)O2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.46
PTGS1 P23219 5/20 0.46
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MPI P34949 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 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
SCHEMBL6404650 0.82 PTGS2 (0.48) PTGS2PTGS1KDM4EALDH1A1GAA
SCHEMBL6404998 0.82 PTGS2 (0.48) PTGS2PTGS1KDM4EALDH1A1GAA
SCHEMBL6683777 0.79 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6683202 0.76 PTGS1 (0.41) PTGS2PTGS1
SCHEMBL6680241 0.74 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6685269 0.74 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6408565 0.72 PTGS2 (0.37) PTGS2PTGS1PPARGPPARDPPARA
SCHEMBL6405577 0.72 PTGS2 (0.37) PTGS2PTGS1PPARGPPARDPPARA
SCHEMBL6682272 0.72 PTGS1 (0.46) PTGS2PTGS1PPARGPPARDPPARA
SCHEMBL6408713 0.72 PTGS2 (0.38) PTGS2PTGS1KDM4EALDH1A1GAA

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-1274700-B1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORP (US) 2004-11-17 EP claimed