SCHEMBL4063828

SCHEMBL4063828

O=C(O)Cc1c[nH]c2ccc(OCCCN3c4ccccc4Oc4ccccc43)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.53
PPARA Q07869 3/20 0.53
PPARD Q03181 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MTNR1A P48039 4/20 0.47
MTNR1B P49286 4/20 0.47
LTA4H P09960 4/20 0.45
PLA2G2A P14555 4/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GLA P06280 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL4064158 0.92 PPARG (0.44) PPARGPPARAPPARDKDM4ELMNA
SCHEMBL4053587 0.80 PPARG (0.47) PPARGKDM4EALDH1A1MEN1KMT2A
SCHEMBL12721122 0.77 KDM4E (0.71) PPARGPPARAPPARDKDM4EMTNR1A
SCHEMBL2429146 0.75 KDM4E (0.68) PPARGPPARAPPARDKDM4EMTNR1A
SCHEMBL15747702 0.75 KDM4E (0.71) PPARGPPARAPPARDKDM4EMTNR1A
SCHEMBL23701772 0.74 HTR1B (0.67) PPARGPPARAPPARDKDM4EMTNR1A
SCHEMBL4490807 0.74 PPARG (0.71) PPARGPPARAPPARDKDM4ELTA4H
SCHEMBL15747755 0.72 KDM4E (0.75) PPARGPPARAPPARDKDM4EMTNR1A
SCHEMBL853666 0.71 KDM4E (0.56) PPARGPPARAPPARDKDM4EMTNR1A
SCHEMBL5009226 0.71 PPARG (0.60) PPARGPPARAPPARDKMT2AMCL1

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