SCHEMBL14033573

SCHEMBL14033573

CC(C)(C)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.76
▸ ABCC9 O60706 3/20 0.69
▸ ABCC8 Q09428 3/20 0.69
▸ KCNJ11 Q14654 3/20 0.69
▸ KCNJ8 Q15842 3/20 0.69
▸ PDK1 Q15118 2/20 0.69
▸ PDK2 Q15119 2/20 0.69
▸ PDK3 Q15120 2/20 0.69
▸ PDK4 Q16654 2/20 0.69
▸ ABCB11 O95342 1/20 0.69
▸ L3MBTL1 Q9Y468 2/20 0.68
▸ ALDH1A1 P00352 6/20 0.66
▸ NPSR1 Q6W5P4 2/20 0.65
▸ RAB9A P51151 3/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ HPGD P15428 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ HTT P42858 1/20 0.60

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
SCHEMBL83110 0.85 L3MBTL1 (0.78) LMNAPDK1PDK2PDK3PDK4
SCHEMBL7332862 0.83 L3MBTL1 (0.76) LMNAL3MBTL1ALDH1A1NPSR1RAB9A
SCHEMBL7733701 0.82 L3MBTL1 (1.00) LMNAL3MBTL1ALDH1A1NPSR1RAB9A
Zd-6169 SCHEMBL4261046 0.82 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8PDK1
Zd-6169 SCHEMBL2123811 0.82 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL29037529 0.81 L3MBTL1 (0.73) LMNAPDK1PDK2PDK3PDK4
SCHEMBL28277461 0.81 L3MBTL1 (0.73) LMNAPDK1PDK2PDK3PDK4
SCHEMBL8866262 0.81 ABCC9 (0.68) LMNAABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8866436 0.81 ABCC9 (0.68) LMNAABCC9ABCC8KCNJ11KCNJ8
SCHEMBL10050677 0.80 ABCC9 (0.54) LMNAABCC9ABCC8KCNJ11KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 — — US disclosed
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 — — US disclosed
EP-1423381-B1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORP (US) 2007-01-03 — — EP disclosed
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