SCHEMBL7005265

SCHEMBL7005265

COc1ccc(-c2c(C(=O)O)[nH]c3cccc(C(=O)c4cccc(C(F)(F)F)c4)c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
SRD5A2 P31213 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
VNN1 O95497 1/20 0.42
GPR35 Q9HC97 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
CLK1 P49759 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 1/20 0.40
MCL1 Q07820 1/20 0.39
CYP2C8 P10632 1/20 0.39
PTPN1 P18031 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
SCHEMBL5739744 0.78 SCD (0.42) KDM4EPOLBGPR35KMT2AMCL1
SCHEMBL7485522 0.72 SRD5A2 (0.68) MAPTSRD5A2RXFP1KDM4EPOLB
SCHEMBL7003912 0.72 LTB4R2 (0.43) MAPTKDM4EPOLBKMT2A
SCHEMBL5483962 0.70 MAPT (0.53) MAPTSRD5A2RXFP1KDM4EPOLB
SCHEMBL11359946 0.70 ALDH1A1 (0.66) MAPTSRD5A2RXFP1KDM4EPOLB
SCHEMBL6851244 0.69 PPARG (0.59) AKR1C3AKR1C2
SCHEMBL4883914 0.68 KDM4E (0.72) KDM4EGPR35KMT2A
SCHEMBL11504586 0.68 RORB (0.60) MAPTSRD5A2RXFP1KMT2AMAOB
SCHEMBL7063654 0.68 MEN1 (0.70) MAPTKMT2A
SCHEMBL9229493 0.67 SRD5A2 (0.67) SRD5A2RXFP1POLBVNN1AKR1C3

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-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO disclosed