SCHEMBL16196394

SCHEMBL16196394

CCCCCCCCCCCCCCCCCCSc1ncnc(N(c2ncnc(SCCCCCCCCCCCCCCCCCC)n2)c2ccc(C(C)(C)C)c(O)c2C(C)(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PPARG P37231 1/20 0.31
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ PTGES O14684 2/20 0.30
▸ GPR84 Q9NQS5 6/20 0.30
▸ HASPIN Q8TF76 1/20 0.30

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
SCHEMBL16196498 0.87 PTGS1 (0.31) —
SCHEMBL9579176 0.81 PTGS1 (0.36) GAAHTTKDM4EMEN1TSHR
SCHEMBL30396289 0.76 PPARG (0.40) GAAHTTKDM4EMEN1TSHR
SCHEMBL29683967 0.71 PPARG (0.36) PPARGSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL31707404 0.71 PPARG (0.36) PPARGSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL30428363 0.71 PPARG (0.36) PPARGSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL11141268 0.70 PTGS1 (0.36) GAAHTTKDM4EMEN1TSHR
SCHEMBL284354 0.69 GAA (0.53) GAAHTTKDM4EMEN1TSHR
SCHEMBL996080 0.69 PTGS1 (0.35) GAAHTTKDM4EMEN1TSHR
SCHEMBL10714202 0.68 GPR84 (0.33) HTTMEN1TSHRKMT2AHSD17B10

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-20140322649-A1 Method of Improving Surface Cure in Digital Flexographic Printing Plates MACDERMID GRAPHICS SOLUTIONS, LLC 2014-10-30 — — US claimed
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