SCHEMBL5222167

SCHEMBL5222167

CCOC(=O)CCOc1ccc2c(c1)CCN(C(=O)c1sc(-c3ccc(C(F)(F)F)cc3)nc1C)C2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
CRHBP P24387 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
PPARA Q07869 13/20 0.43
PPARD Q03181 11/20 0.43
PPARG P37231 5/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
FFAR1 O14842 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 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
SCHEMBL5222159 0.86 KDM4E (0.44) KDM4EMEN1HSP90AA1MAPTCRHBP
SCHEMBL4877685 0.85 PPARA (0.47) KDM4EMEN1HSP90AA1MAPTCRHBP
SCHEMBL14197497 0.82 PPARA (0.47) KDM4EMEN1HSP90AA1MAPTCRHBP
SCHEMBL4867536 0.82 PPARA (0.58) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL4877922 0.81 ALDH1A1 (0.49) KDM4EMEN1HSP90AA1MAPTCRHBP
SCHEMBL4872840 0.79 PPARA (0.58) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL14197488 0.76 CNR1 (0.47) MEN1MAPTKMT2APPARAPPARD
SCHEMBL13334281 0.75 PPARD (0.49) PPARAPPARDPPARGFFAR1
SCHEMBL4878572 0.74 PPARA (0.58) MEN1MAPTKMT2APPARAPPARD
SCHEMBL4878373 0.73 PPARA (0.54) MAPTPPARAPPARDPPARGESR1

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-1824484-A1 DRUGS AND PRODRUGS USEFUL FOR THE TREATMENT OF ENERGY BALANCE IN RUMINANTS Pfizer Products Incorporated (US) 2007-08-29 EP disclosed
WO-2006054166-A1 DRUGS AND PRODRUGS USEFUL FOR THE TREATMENT OF ENERGY BALANCE IN RUMINANTS PFIZER PRODUCTS INC. (US) 2006-05-26 WO disclosed