SCHEMBL10050677

SCHEMBL10050677

CCC(C)(C)C(=O)Nc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 2/20 0.54
▸ ABCC8 Q09428 2/20 0.54
▸ KCNJ11 Q14654 2/20 0.54
▸ PDK1 Q15118 2/20 0.54
▸ PDK2 Q15119 2/20 0.54
▸ PDK3 Q15120 2/20 0.54
▸ KCNJ8 Q15842 2/20 0.54
▸ PDK4 Q16654 2/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ HPGD P15428 4/20 0.54
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ HTT P42858 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 1/20 0.48

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
SCHEMBL14033573 0.80 LMNA (0.76) ABCC9ABCC8KCNJ11PDK1PDK2
SCHEMBL750651 0.80 RIPK1 (0.59) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL802226 0.78 EPHX2 (0.54) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL12226380 0.78 L3MBTL1 (0.61) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL19501813 0.77 NPC1 (0.57) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL12863539 0.77 S1PR4 (0.54) ALDH1A1RAB9AMEN1KMT2AHTT
SCHEMBL12226381 0.76 L3MBTL1 (0.73) ALDH1A1RAB9AHPGDMEN1KMT2A
SCHEMBL1104185 0.76 MEN1 (0.49) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL20845616 0.76 MEN1 (0.50) ALDH1A1HPGDMEN1KMT2AHTT
SCHEMBL20100978 0.75 MAPT (0.51) ALDH1A1RAB9AHPGDMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796357-B2 Ink composition, image forming method, and print material FUJIFILM CORPORATION (JP) 2014-08-05 — — US disclosed
US-20120238691-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINT MATERIAL FUJIFILM CORPORATION (JP) 2012-09-20 — — US disclosed
US-8097688-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-01-17 — — US disclosed
US-20100227076-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-09 — — US disclosed
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