SCHEMBL14224467

SCHEMBL14224467

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCCCl)cc2)cc1)C(=O)NO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 1/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36

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
SCHEMBL1912124 0.91 GAA (0.45) PTPN1GAAPOLBCTDSP1NPC1
SCHEMBL1109437 0.91 PTPN1 (0.41) PTPN1GAAPOLBCTDSP1PPARG
SCHEMBL1912116 0.90 GAA (0.41) PTPN1GAAPOLBCTDSP1PPARG
SCHEMBL14196108 0.89
SCHEMBL10286658 0.89 GAA (0.43) PTPN1GAAPOLBCTDSP1PPARG
SCHEMBL1109454 0.89 KDM4E (0.47) PTPN1GAAPOLBCTDSP1PPARG
SCHEMBL1109182 0.89 GAA (0.55) PTPN1GAANPC1ALDH1A1RAB9A
SCHEMBL1912145 0.88 PTPN1 (0.43) PTPN1GAAPOLBCTDSP1PPARG
SCHEMBL1109275 0.88 PTPN1 (0.39) PTPN1GAAPOLBCTDSP1HDAC1
SCHEMBL1109121 0.88 POLB (0.39) PTPN1GAAPOLBCTDSP1HTT

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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed