SCHEMBL2772136

SCHEMBL2772136

CCCCOc1cc(CN(C)c2ccc(O)cc2C)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
WDR5 P61964 1/20 0.40
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
MCL1 Q07820 1/20 0.39
S1PR3 Q99500 1/20 0.39
TP53 P04637 1/20 0.39
RARB P10826 3/20 0.38
RARA P10276 1/20 0.38

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
SCHEMBL498879 0.89 CA12 (0.39) PTPN1TP53
SCHEMBL27761505 0.89 PPARA (0.47) PPARAPPARGPTPN1PTPN6PTPN11
SCHEMBL497820 0.82 RXRA (0.41) PPARAMCL1RARB
SCHEMBL27740953 0.81 EGFR (0.37) PPARAPTPN1RARB
SCHEMBL8243911 0.79 ESR1 (0.50) PPARAPPARGPTPN11S1PR3TP53
SCHEMBL4369286 0.75 PTPN11 (0.56) PPARAPPARGPTPN1PTPN6PTPN11
SCHEMBL27761412 0.75 PPARA (0.58) PPARAPPARGPTPN1PTPN6PTPN11
SCHEMBL498276 0.74 CA1 (0.47) TP53
SCHEMBL25421342 0.74 PPARA (0.65) PPARAPPARGPTPN1PTPN6PTPN11
SCHEMBL498164 0.72 THRA (0.36) PPARAPPARGPTPN1TP53

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-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed