SCHEMBL8558996

SCHEMBL8558996

COc1ccc(C(=S)OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 4/20 0.54
LTA4H P09960 1/20 0.50
ALDH1A1 P00352 5/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
ALOX12 P18054 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP2D6 P10635 2/20 0.49
PLAU P00749 1/20 0.49
ELANE P08246 1/20 0.49
MAPT P10636 3/20 0.49
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL5597240 0.84 TDP1 (0.59) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL26127977 0.84 TDP1 (0.59) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL16242051 0.83 NPC1 (0.56) NPC1RAB9ALTA4HALDH1A1PLAU
SCHEMBL28683220 0.83 KMT2A (0.50) NPC1RAB9AALDH1A1ALOX12MAPT
SCHEMBL10518901 0.82 LMNA (0.62) ALDH1A1CYP1A2CYP2C19MAPTMEN1
SCHEMBL8557978 0.81 CA1 (0.62) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL7898710 0.80 NPC1 (0.54) NPC1RAB9ALTA4HALDH1A1PLAU
SCHEMBL2704247 0.80 KMT2A (0.71) NPC1RAB9AALDH1A1PLAUELANE
Toluene SCHEMBL29087078 0.79 KMT2A (0.50) NPC1RAB9AALDH1A1ALOX12MAPT
SCHEMBL1267118 0.79 NPC1 (0.58) NPC1RAB9AALDH1A1CYP1A2CYP2C9

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
US-5811456-A TREATMENT OF ALZHEIMER'S DISEASE LABORATOIRES MAYOLY SPINDLER (FR) 1998-09-22 US disclosed
EP-0586379-B1 POLYMERISATION REGULATION COMMW SCIENT IND RES ORG (AU) 1998-05-20 EP disclosed
US-5739228-A Polymerization using thionoester compounds as chain transfer agents COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1998-04-14 US disclosed
EP-0586379-A1 POLYMERISATION REGULATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1994-03-16 EP disclosed
EP-0586379-A4 POLYMERISATION REGULATION. COMMW SCIENT IND RES ORG (AU) 1993-12-10 EP disclosed
WO-1992013903-A1 POLYMERISATION REGULATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1992-08-20 WO disclosed