SCHEMBL4706985

SCHEMBL4706985

O=C(O)N(SSCc1ccccc1)SSCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
PTPRC P08575 1/20 0.45
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AKR1B1 P15121 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
IDO1 P14902 4/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7630963 0.85 CYP2C19 (0.46) CYP2C19PTPRCLMNAALDH1A1HPGD
SCHEMBL8728754 0.79 CYP2C19 (0.47) CYP2C19PTPRCLMNAHPGDNPC1
SCHEMBL11884660 0.77 CYP2C19 (0.42) CYP2C19PTPRCLMNAALDH1A1HPGD
SCHEMBL11572722 0.74 CYP2C19 (0.43) CYP2C19PTPRCLMNAALDH1A1HPGD
Dibenzyl Disulfide SCHEMBL27966611 0.74 IDO1 (0.56) CYP2C19PTPRCALDH1A1SMN1; SMN2CES2
Dibenzyl Disulfide SCHEMBL28006296 0.74 IDO1 (0.56) CYP2C19PTPRCSMN1; SMN2CES2CES1
SCHEMBL11620196 0.73 CYP2C19 (0.46) CYP2C19PTPRCLMNAALDH1A1HPGD
Dibenzyl Disulfide SCHEMBL27853226 0.72 IDO1 (0.54) CYP2C19PTPRCSMN1; SMN2CES2CES1
Dibenzyl Disulfide SCHEMBL160895 0.72 HSD17B10 (0.52) CYP2C19ALDH1A1CA12CA9IDO1
Dibenzyl Disulfide SCHEMBL16332737 0.72 HSD17B10 (0.52) CYP2C19ALDH1A1CA12CA9IDO1

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-1368384-B1 MANUFACTURE OF CONJUGATED DIENE POLYMERS USING AN IRON-BASED CATALYST COMPOSITION BRIDGESTONE CORP (JP) 2008-08-20 EP disclosed
EP-1368384-A1 MANUFACTURE OF CONJUGATED DIENE POLYMERS USING AN IRON-BASED CATALYST COMPOSITION Bridgestone Corporation (JP) 2003-12-10 EP disclosed
WO-2002100910-A1 MOLYBDENUM-BASED CATALYST COMPOSITION FOR PRODUCING SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2002-12-19 WO disclosed
WO-2002081082-A1 IRON-BASED CATALYST COMPOSITION FOR PRODUCING OLIGOMERS OF CONJUGATED DIENES BRIDGESTONE CORPORATION (JP) 2002-10-17 WO disclosed
WO-2002066525-A1 CHROMIUM-BASED CATALYST COMPOSITION BRIDGESTONE CORPORATION (JP) 2002-08-29 WO disclosed
WO-2002066523-A1 MANUFACTURE OF CONJUGATED DIENE POLYMERS USING AN IRON-BASED CATALYST COMPOSITION BRIDGESTONE CORPORATION (JP) 2002-08-29 WO disclosed