SCHEMBL3705852

SCHEMBL3705852

COc1ccc(Oc2c(Br)cc(N(CC(=O)O)C(=O)c3ccccc3)cc2Br)cc1C(=O)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 4/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL3703610 0.90 ALDH1A1 (0.44) HPGDALDH1A1GAANPC1NPSR1
SCHEMBL3705716 0.89 THRB (0.46) HPGD
SCHEMBL3713137 0.83 MAPT (0.46) ALDH1A1GAANPC1KDM4EMAPT
SCHEMBL3807594 0.80 SLC6A9 (0.42) HPGDNPC1HTTKDM4EMEN1
SCHEMBL3800984 0.80 GYS1 (0.41) HPGDHTT
SCHEMBL3713941 0.78 THRB (0.50) ALDH1A1GAAMEN1KMT2A
SCHEMBL3804919 0.78 SLC6A9 (0.39) HPGDNPC1HTTMEN1KMT2A
SCHEMBL3803403 0.77 SLC6A9 (0.39) HPGDALDH1A1HTT
SCHEMBL3806836 0.77 KDM4E (0.41) HPGDNPC1HTTKDM4EPOLB
SCHEMBL3705084 0.75 TSHR (0.44) ALDH1A1GAANPC1MAPTPOLB

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