SCHEMBL4054495

SCHEMBL4054495

O=C(O)Cc1c[nH]c2ccc(OCCCOc3ccc(C(=O)c4ccc(F)cc4)cc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
PPARG P37231 4/20 0.57
PPARA Q07869 3/20 0.57
PPARD Q03181 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MTNR1A P48039 5/20 0.51
MTNR1B P49286 5/20 0.51
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LTA4H P09960 2/20 0.46
PLA2G2A P14555 2/20 0.46
HTR1A P08908 4/20 0.46
HTR1D P28221 3/20 0.46
HTR1B P28222 3/20 0.46

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
SCHEMBL4063133 0.91 TSHR (0.51) TSHRPPARGPPARAPPARDKDM4E
SCHEMBL4055198 0.87 PPARG (0.59) TSHRPPARGPPARAPPARDKDM4E
SCHEMBL12721122 0.81 KDM4E (0.71) TSHRPPARGPPARAPPARDKDM4E
SCHEMBL4064985 0.81 PPARA (0.51) TSHRPPARGPPARAPPARDKDM4E
SCHEMBL4056810 0.79 PPARG (0.59) TSHRPPARGPPARAPPARD
SCHEMBL2429146 0.79 KDM4E (0.68) TSHRPPARGPPARAPPARDKDM4E
SCHEMBL15747702 0.79 KDM4E (0.71) TSHRPPARGPPARAPPARDKDM4E
SCHEMBL23701772 0.78 HTR1B (0.67) TSHRPPARGPPARAPPARDKDM4E
SCHEMBL6221272 0.78 PPARG (0.66) TSHRPPARGPPARAPPARDKDM4E
SCHEMBL2260803 0.77 TSHR (1.00) TSHRKDM4EMTNR1AMTNR1BALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689389-A4 INDOLE COMPOUNDS NAT HEALTH RESEARCH INSTITUTES (TW) 2009-06-17 EP disclosed
EP-1689389-A2 INDOLE COMPOUNDS National Health Research Institutes (TW) 2006-08-16 EP disclosed
WO-2005056522-A2 INDOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-06-23 WO disclosed