SCHEMBL5314709

SCHEMBL5314709

CCC(C)CSc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.61
MAOB P27338 1/20 0.61
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
FFAR1 O14842 1/20 0.39
SLC6A4 P31645 2/20 0.37
SCN4A P35499 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL13074353 1.00 MAOA (0.61) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL24088816 1.00 MAOA (0.61) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL14490649 0.89 MAOA (0.68) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL19890916 0.85 MAOA (0.49) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL28214072 0.83 MAOA (0.57) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL24483953 0.83 MAOA (0.57) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL14017008 0.81 HPGD (0.45) MAOAMAOBALDH1A1SLC6A4NPC1
SCHEMBL96627 0.81 MAOA (0.59) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL96626 0.81 MAOA (0.59) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL12610426 0.80 MAOA (0.57) MAOAMAOBMTNR1AMTNR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230160001-A1 NUCLEOTIDE CLEAVABLE LINKERS WITH RIGID SPACERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-05-25 US disclosed
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO disclosed
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO disclosed
EP-0809647-B1 CHIRAL ORGANOMETALLIC COMPOUNDS AVECIA LTD (GB) 2003-09-10 EP disclosed
US-5929266-A ZIRCONIUM, HAFNIUM, TITANIUM CYCLOPENTADIENE COMPOUNDS USEFUL IN ASYMMETRIC SYNTHESIS ZENECA LIMITED (GB) 1999-07-27 US disclosed
EP-0809647-A1 CHIRAL ORGANOMETALLIC COMPOUNDS ZENECA LIMITED (GB) 1997-12-03 EP disclosed
WO-1996025420-A1 CHIRAL ORGANOMETALLIC COMPOUNDS ZENECA LIMITED (GB) 1996-08-22 WO disclosed