SCHEMBL2224129

SCHEMBL2224129

CCOC(=O)CCc1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
FAAH O00519 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL2817919 0.87 LMNA (0.57) LMNAGAAHPGDMAPTTSHR
SCHEMBL2223461 0.87 LMNA (0.54) LMNAGAAHPGDTSHRKMT2A
SCHEMBL2222205 0.81 LMNA (0.59) LMNAGAAHPGDKDM4EHSD17B10
SCHEMBL2108513 0.81 PPARG (0.46) LMNAHPGDKDM4EHSD17B10MAPT
SCHEMBL3085601 0.79 LMNA (0.48) LMNAGAAHPGDTSHRKMT2A
SCHEMBL27787138 0.78 LMNA (0.52) LMNAGAAHPGDTSHRKMT2A
SCHEMBL19006409 0.77 CYP4F2 (0.45) LMNAGAAKDM4EHSD17B10MAPT
SCHEMBL2817924 0.76 HDAC1 (0.58) LMNAGAAHPGDKDM4EMAPT
SCHEMBL5761247 0.76 HDAC1 (0.46) LMNAGAAHPGDKDM4EHSD17B10
SCHEMBL3592886 0.75 ESR1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523560-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed