SCHEMBL18557996

SCHEMBL18557996

CC(C)(C)OC(=O)NC(Cc1cc(I)c(Oc2ccc(OCC(O)CNC3CCCCCC(N)CC(N)CC3)c(I)c2)c(I)c1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ADRB2 P07550 2/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ PTPN1 P18031 3/20 0.34
▸ ACE P12821 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ EPHX2 P34913 1/20 0.34

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
SCHEMBL18558003 0.93 KMT2A (0.37) ABCB1MEN1KMT2AITGB3ITGA2B
SCHEMBL19309257 0.91 ITGB3 (0.36) MEN1KMT2AITGB3ITGA2BLMNA
SCHEMBL19309266 0.84 KMT2A (0.36) MEN1KMT2AITGB3ITGA2BLMNA
SCHEMBL12584374 0.82 ITGB3 (0.44) MEN1KMT2AITGB3ITGA2BLMNA
SCHEMBL17612140 0.79 ITGB3 (0.43) MEN1KMT2AITGB3ITGA2BLMNA
SCHEMBL6845190 0.75 ITGB3 (0.44) MEN1KMT2AITGB3ITGA2BLMNA
SCHEMBL12584373 0.75 ITGB3 (0.44) MEN1KMT2AITGB3ITGA2BLMNA
SCHEMBL12642759 0.74 THRB (0.44) MEN1KMT2AITGB3ITGA2BLMNA
SCHEMBL13952220 0.73 THRB (0.47) MEN1KMT2AITGB3ITGA2BLMNA
SCHEMBL5177770 0.72 THRB (0.60) MEN1KMT2AITGB3ITGA2BLMNA

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
US-9579300-B2 Nanoparticle and polymer formulations for thyroid hormone analogs, antagonists, and formulations thereof NANOPHARMACEUTICALS LLC (US) 2017-02-28 — — US disclosed
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