SCHEMBL6090805

SCHEMBL6090805

CCCCS(=O)(=O)Nc1ccc(C(=O)OC)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.74
THRA P10827 1/20 0.56
NPC1 O15118 1/20 0.54
CASP1 P29466 1/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 2/20 0.52
AR P10275 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
RECQL P46063 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
PTPRB P23467 1/20 0.47

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
SCHEMBL1020558 0.85 HPGD (1.00) HPGDLMNASMN1; SMN2RECQLCA1
SCHEMBL8231736 0.84 THRA (0.59) HPGDTHRALMNAARSMN1; SMN2
SCHEMBL9324564 0.83 THRA (0.58) HPGDTHRALMNAARSMN1; SMN2
SCHEMBL9324567 0.83 THRA (0.58) HPGDTHRANPC1RAB9ALMNA
SCHEMBL9491401 0.83 THRA (0.58) HPGDTHRALMNAARSMN1; SMN2
SCHEMBL11709119 0.81 HPGD (0.75) HPGDTHRARAB9ALMNAAR
SCHEMBL7404753 0.81 THRA (0.62) HPGDTHRALMNAARSMN1; SMN2
SCHEMBL16051464 0.80 THRA (0.65) HPGDTHRALMNAARSMN1; SMN2
SCHEMBL5293554 0.79 HPGD (0.59) HPGDTHRALMNAARSMN1; SMN2
SCHEMBL13064478 0.79 HPGD (0.80) HPGDNPC1RAB9ALMNASMN1; SMN2

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-2006064286-A1 CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2006-06-22 WO disclosed
WO-2006064286-A1 CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2006-06-22 WO disclosed