SCHEMBL12757161

SCHEMBL12757161

Cc1ccc(S(=O)(=O)C(C)(C)C(=O)c2ccc(N(C)c3ccc(C(=O)c4ccc(OCCO)cc4)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.38
LMNA P02545 3/20 0.38
LSS P48449 1/20 0.38
PPARG P37231 1/20 0.38
MAPT P10636 4/20 0.37
TP53 P04637 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.36
PPARA Q07869 1/20 0.36
ENPP1 P22413 1/20 0.36
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL12757122 0.89 GAA (0.47) GAAMAPTSMN1; SMN2NPC1PPARA
SCHEMBL12757143 0.87 LMNA (0.43) GAAKMT2ALMNAPPARGMAPT
SCHEMBL12757091 0.87 GAA (0.44) GAAKMT2AMAPTSMN1; SMN2NPC1
SCHEMBL12757154 0.86 TP53 (0.51) GAAKMT2ALMNAMAPTTP53
SCHEMBL12757152 0.84 CA2 (0.39) KMT2ALMNAMAPTSMN1; SMN2NPC1
SCHEMBL12757149 0.84 ALDH1A1 (0.47) GAAKMT2ALMNAPPARGMAPT
SCHEMBL12757145 0.82 LMNA (0.39) LMNAMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL12757141 0.82 NPC1 (0.46) LMNATP53NPC1ALDH1A1
SCHEMBL12757172 0.82 ALOX5 (0.46) KMT2AMAPTNPC1ALDH1A1
SCHEMBL12757144 0.82 KMT2A (0.44) GAAKMT2ALMNAMAPTTP53

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-8342674-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2013-01-01 US disclosed
US-20110074897-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2011-03-31 US disclosed