SCHEMBL11426652

SCHEMBL11426652

O=C(O)COc1c(I)cc(C(=O)c2cccs2)cc1I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.51
THRB P10828 3/20 0.51
CYP2C9 P11712 3/20 0.50
HPGDS O60760 1/20 0.50
HPGD P15428 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
ALOX5 P09917 1/20 0.46
HTT P42858 1/20 0.43
CNR2 P34972 2/20 0.42
VNN1 O95497 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL11427121 0.84 CYP2C9 (0.57) CYP2C9HPGDSHPGDNPC1RAB9A
SCHEMBL11442063 0.84 POLB (0.53) CYP2C9HPGDSHPGDNPC1RAB9A
SCHEMBL11429589 0.84 CYP2C9 (0.53) CYP2C9HPGDSHPGDNPC1RAB9A
SCHEMBL6724871 0.81 THRA (0.57) THRATHRBKMT2ACD69KDM4E
SCHEMBL6728497 0.80 THRA (0.61) THRATHRBVNN1ALDH1A1MEN1
SCHEMBL11435428 0.76 HPGD (0.45) CYP2C9HPGDSHPGDNPC1RAB9A
SCHEMBL11855656 0.75 CYP2C9 (0.62) CYP2C9HPGDSHPGDNPC1RAB9A
SCHEMBL6725180 0.75 THRB (0.55) THRATHRBCYP2C9PTGS2ALDH1A1
SCHEMBL11432610 0.74 CYP2C9 (0.57) CYP2C9HPGDSHPGDNPC1RAB9A
SCHEMBL14040248 0.70 THRA (0.46) THRATHRBTSHRKMT2ACD69

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
US-4197309-A AND THEIR OXIMES, USED TO INDUCE URICOSIC EFFECT WITHOUT DIURESIS ALBERT ROLAND S.A. (FR) 1980-04-08 US claimed
US-4197309-A AND THEIR OXIMES, USED TO INDUCE URICOSIC EFFECT WITHOUT DIURESIS ALBERT ROLAND S.A. (FR) 1980-04-08 US disclosed