SCHEMBL28801516

SCHEMBL28801516

CCCC[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@H]3CC[C@H]12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 4/20 0.50
▸ PDK2 Q15119 4/20 0.50
▸ PDK3 Q15120 4/20 0.50
▸ PDK4 Q16654 4/20 0.50
▸ NR1I2 O75469 2/20 0.46
▸ PGR P06401 2/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SHBG P04278 1/20 0.32
▸ SERPINA6 P08185 1/20 0.32

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
SCHEMBL28857241 0.73 NR1I2 (0.49) PDK1PDK2PDK3PDK4NR1I2
SCHEMBL9663971 0.72 PDK1 (0.49) PDK1PDK2PDK3PDK4NR1I2
SCHEMBL9663978 0.72 PDK1 (0.49) PDK1PDK2PDK3PDK4NR1I2
SCHEMBL22382702 0.68 NR1I2 (0.74) PDK1PDK2PDK3PDK4NR1I2
SCHEMBL13769014 0.67 PDK1 (0.35) PDK1PDK2PDK3PDK4NR1I2
SCHEMBL5173777 0.64 NR1I2 (0.62) PDK1PDK2PDK3PDK4NR1I2
SCHEMBL22364339 0.64 NR1I2 (0.62) PDK1PDK2PDK3PDK4NR1I2
Norelgestromin SCHEMBL3267125 0.63 NR1I2 (1.00) PDK1PDK2PDK3PDK4NR1I2
Norelgestromin SCHEMBL4814600 0.63 NR1I2 (1.00) PDK1PDK2PDK3PDK4NR1I2
Norelgestromin SCHEMBL4814611 0.63 NR1I2 (1.00) PDK1PDK2PDK3PDK4NR1I2

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
CN-103025320-A Intravaginal drug delivery device EVESTRA INC 2013-04-03 — — CN disclosed
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