SCHEMBL4252789

SCHEMBL4252789

CCOC(=O)C(C)(C)Oc1ccc(-c2ccc(C)c(Cn3c(C(=O)O)c(-c4ccc(C(C)(C)C)cc4)c4c(CC)cccc43)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.39
PPARA Q07869 5/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
PPARG P37231 6/20 0.35
EDNRB P24530 1/20 0.35
PTGES O14684 2/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
PIN1 Q13526 2/20 0.33
FBP1 P09467 2/20 0.32
ICMT O60725 1/20 0.32

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
SCHEMBL2809747 0.83 KMT2A (0.41) SERPINE1PPARAABCB11CYP1A2CYP3A4
SCHEMBL2806751 0.80 SERPINE1 (0.49) SERPINE1PPARAPPARGEDNRBMEN1
SCHEMBL2810361 0.76 SERPINE1 (0.51) SERPINE1PPARGEDNRBMEN1USP2
SCHEMBL12860016 0.74 PPARA (0.59) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL2810186 0.73 SERPINE1 (0.54) SERPINE1PPARGEDNRBPTGESMEN1
SCHEMBL2805777 0.72 SERPINE1 (0.42) SERPINE1PPARGEDNRBMEN1ALDH1A1
SCHEMBL13168276 0.72 PIN1 (0.42) SERPINE1PPARGEDNRBMEN1ALDH1A1
SCHEMBL2807928 0.72 KDM4E (0.44) SERPINE1TSHRPPARGTP53MEN1
SCHEMBL13168630 0.71 PIN1 (0.44) SERPINE1EDNRBMEN1USP2ALDH1A1
SCHEMBL2813528 0.71 SERPINE1 (0.50) SERPINE1PPARAPPARGEDNRBMEN1

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-2081894-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SmithKline Beecham Corporation (US) 2009-07-29 EP disclosed
WO-2008028118-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SMITHKLINE BEECHAM CORPORAITON (US) 2008-03-06 WO disclosed