SCHEMBL3800512

SCHEMBL3800512

COc1cccc(C(=O)N(CC(=O)O)c2cc(Br)c(Oc3ccc(OC)c(-c4ccccc4)c3)c(Br)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GYS1 P13807 2/20 0.42
THRA P10827 4/20 0.40
THRB P10828 4/20 0.40
MCHR1 Q99705 1/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
LPAR1 Q92633 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
HSD17B2 P37059 1/20 0.38
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 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
SCHEMBL3800984 0.94 GYS1 (0.41) HTTGYS1THRATHRBMCHR1
SCHEMBL3806836 0.92 KDM4E (0.41) HTTGYS1THRATHRBMCHR1
SCHEMBL3802151 0.86 TSHR (0.40) LMNAL3MBTL1GYS1THRATHRB
SCHEMBL3807594 0.86 SLC6A9 (0.42) HTTTHRATHRBHDAC4HDAC2
SCHEMBL3800631 0.85 LMNA (0.38) LMNAGYS1THRATHRBLPAR1
SCHEMBL3804919 0.84 SLC6A9 (0.39) HTTTHRATHRBLPAR1HDAC4
SCHEMBL3806790 0.83 MEN1 (0.45) TDP1L3MBTL1THRATHRBKDM4E
SCHEMBL3804567 0.83 CTSA (0.41) GYS1THRATHRBMCHR1LPAR1
SCHEMBL3803403 0.83 SLC6A9 (0.39) HTTGYS1THRATHRBLPAR1
SCHEMBL3784791 0.82 THRA (0.41) LMNAHTTL3MBTL1THRATHRB

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
WO-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 WO disclosed