SCHEMBL6154640

SCHEMBL6154640

CCOC(=O)c1cc(-c2ccc(C(F)(F)F)cc2C)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAOB P27338 1/20 0.41
MLYCD O95822 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDK2 Q15119 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 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
SCHEMBL2117865 0.85 KDM4E (0.52) KDM4EMAPTMEN1KMT2AHSP90AA1
SCHEMBL10147459 0.85 ALPL (0.44) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL2299722 0.84 LMNA (0.48) MAPTMEN1KMT2AL3MBTL1MAOB
SCHEMBL19814488 0.78 MAPT (0.49) MAPTMEN1KMT2AHPGD
SCHEMBL29775670 0.78 MAPT (0.49) MAPTMEN1KMT2AHPGD
SCHEMBL31124009 0.76 GAA (0.41) KDM4EMAPTMEN1KMT2AHDAC4
SCHEMBL2300298 0.76 LMNA (0.44) MAPTMEN1KMT2AHDAC4HDAC6
SCHEMBL21317626 0.74 POLB (0.45) KDM4EMAPTMEN1KMT2AHDAC4
SCHEMBL19766782 0.74 HSP90AA1 (0.38) KDM4EMAPTHSP90AA1L3MBTL1ALDH1A1
SCHEMBL7669777 0.74 CYP1A2 (0.44) KDM4EMAPTL3MBTL1ALDH1A1CYP1A2

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-1585733-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063166-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed