SCHEMBL4063133

SCHEMBL4063133

O=C(O)Cc1c[nH]c2cc(OCCCOc3ccc(C(=O)c4ccc(F)cc4)cc3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
PPARG P37231 6/20 0.49
PPARA Q07869 6/20 0.49
PPARD Q03181 4/20 0.49
KDM4E B2RXH2 1/20 0.46
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC1 Q13547 1/20 0.40

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
SCHEMBL4054495 0.91 TSHR (0.60) TSHRPPARGPPARAPPARDKDM4E
SCHEMBL4056810 0.87 PPARG (0.59) TSHRPPARGPPARAPPARD
SCHEMBL8180904 0.81 KDM4E (0.56) TSHRPPARGPPARAPPARDKDM4E
SCHEMBL4064985 0.81 PPARA (0.51) TSHRPPARGPPARAPPARDKDM4E
SCHEMBL4055198 0.79 PPARG (0.59) TSHRPPARGPPARAPPARDKDM4E
SCHEMBL29651210 0.77 TSHR (0.77) TSHRKDM4EALDH1A1LMNAGLA
SCHEMBL4098433 0.77 TSHR (0.77) TSHRKDM4EALDH1A1LMNAGLA
SCHEMBL8581146 0.73 KDM4E (0.79) TSHRKDM4EMTNR1AMTNR1BALDH1A1
SCHEMBL30048580 0.73 KDM4E (0.79) TSHRKDM4EMTNR1AMTNR1BALDH1A1
SCHEMBL4473938 0.73 ALDH1A1 (0.65) PPARGPPARAPPARDKDM4EALDH1A1

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