SCHEMBL4444928

SCHEMBL4444928

O=C(O)C1CCC(c2ccccc2)CC1.[MgH2]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.76
RAB9A P51151 1/20 0.76
AKR1C3 P42330 1/20 0.75
AKR1C1 Q04828 1/20 0.75
DEGS1 O15121 1/20 0.49
SIGMAR1 Q99720 2/20 0.47
SLC18A3 Q16572 2/20 0.47
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
DGAT1 O75907 1/20 0.43
SOAT1 P35610 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
IDO1 P14902 1/20 0.42
NOTUM Q6P988 1/20 0.42
GRIN2B Q13224 1/20 0.42
HTR2B P41595 1/20 0.42
FFAR2 O15552 1/20 0.42

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
SCHEMBL3516198 0.98 NPC1 (0.79) NPC1RAB9AAKR1C3AKR1C1DEGS1
SCHEMBL2511695 0.98 NPC1 (0.79) NPC1RAB9AAKR1C3AKR1C1DEGS1
SCHEMBL664284 0.98 NPC1 (0.79) NPC1RAB9AAKR1C3AKR1C1DEGS1
Hydrochloric Acid SCHEMBL10892943 0.96 NPC1 (0.76) NPC1RAB9AAKR1C3AKR1C1DEGS1
SCHEMBL4449225 0.96 NPC1 (0.76) NPC1RAB9AAKR1C3AKR1C1DEGS1
SCHEMBL27478716 0.96 NPC1 (0.76) NPC1RAB9AAKR1C3AKR1C1DEGS1
SCHEMBL3278764 0.86 NPC1 (1.00) NPC1RAB9AAKR1C3AKR1C1DEGS1
SCHEMBL23734588 0.86 NPC1 (0.62) NPC1RAB9AAKR1C3AKR1C1SIGMAR1
SCHEMBL1073107 0.86 AKR1C3 (1.00) NPC1RAB9AAKR1C3AKR1C1DEGS1
SCHEMBL26144401 0.86 AKR1C3 (1.00) NPC1RAB9AAKR1C3AKR1C1DEGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1630201-B1 POLYPHENYLENE SULFIDE RESIN COMPOSITIONS TORAY INDUSTRIES (JP) 2014-12-10 EP disclosed
US-7569635-B2 Polyphenylene sulfide resin compositions TORAY INDUSTRIES, INC. (JP) 2009-08-04 US disclosed
CN-100349979-C Polyphenylene sulfide resin compositions TORAY INDUSTRIES (JP) 2007-11-21 CN disclosed
US-20070021549-A1 Polyphenylene sulfide resin compositions TORAY INDUSTRIES, INC. (JP) 2007-01-25 US disclosed
CN-1798808-A Polyphenylene sulfide resin compositions TORAY INDUSTRIES (JP) 2006-07-05 CN disclosed
EP-1630201-A1 POLYPHENYLENE SULFIDE RESIN COMPOSITIONS TORAY INDUSTRIES, INC. (JP) 2006-03-01 EP disclosed