SCHEMBL7698121

SCHEMBL7698121

CCCCCSCC(=O)CSCCCCC

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.68
GMNN O75496 1/20 0.68
TP53 P04637 1/20 0.68
POLB P06746 1/20 0.68
MAPT P10636 1/20 0.68
THRB P10828 1/20 0.68
CYP2C9 P11712 1/20 0.68
BLM P54132 1/20 0.68
HSD17B10 Q99714 1/20 0.68
CES1 P23141 6/20 0.59
FAAH O00519 4/20 0.59
PLA2G6 O60733 1/20 0.59
PLA2G4B P0C869 6/20 0.45
CA2 P00918 1/20 0.43
EPHX1 P07099 1/20 0.41
AKR1B1 P15121 1/20 0.39

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
SCHEMBL11084109 0.92 CES1 (0.59) CES2GMNNTP53POLBMAPT
SCHEMBL19141213 0.91 CES2 (0.63) CES2GMNNTP53POLBMAPT
SCHEMBL4725514 0.83 CES2 (0.60) CES2GMNNTP53POLBMAPT
SCHEMBL10943857 0.83 CES2 (0.95) CES2GMNNTP53POLBMAPT
SCHEMBL368593 0.83 HSD17B10 (0.95) CES2GMNNTP53POLBMAPT
SCHEMBL2362808 0.83 CES2 (0.65) CES2GMNNTP53POLBMAPT
SCHEMBL14535085 0.83 CES1 (0.55) CES2GMNNTP53POLBMAPT
SCHEMBL1405566 0.81 HSD17B10 (1.00) CES2GMNNTP53POLBMAPT
SCHEMBL4354732 0.81 HSD17B10 (1.00) CES2GMNNTP53POLBMAPT
Tetradecylthioacetic Acid SCHEMBL207756 0.81 HSD17B10 (1.00) CES2GMNNTP53POLBMAPT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372945-B1 OXIDIZING BENZYL SULFIDE, REACTING BENZYL SULFOXIDE FORMED WITH STRONG BASE TO FORM BENZYLIC ANION, CONDENSING ANION WITH BENZALDEHYDE, REACTING CONDENSATION PRODUCT WITH ACID CHLORIDE TO PRODUCE ESTER, TREATING ESTER WITH STRONG BASE ELI LILLY AND COMPANY 2002-04-16 US disclosed
EP-0830356-B1 PROCESS FOR THE SYNTHESIS OF BENZO(b)THIOPHENES LILLY CO ELI (US) 2001-08-22 EP disclosed
EP-1092714-A2 Process for the synthesis of benzo[b]thiophenes Eli Lilly & Company (US) 2001-04-18 EP disclosed
EP-0859770-B1 PROCESS FOR THE SYNTHESIS OF BENZO b]THIOPHENES LILLY CO ELI (US) 1999-12-08 EP disclosed
EP-0830361-A4 VINYL SULFOXIDES AND A PROCESS FOR THEIR SYNTHESIS LILLY CO ELI (US) 1998-12-30 EP disclosed
EP-0859770-A4 1998-10-07 EP disclosed
EP-0830355-A4 PROCESS FOR THE SYNTHESIS OF BENZO(b)THIOPHENES LILLY CO ELI (US) 1998-09-30 EP disclosed
EP-0830356-A4 PROCESS FOR THE SYNTHESIS OF BENZO(b)THIOPHENES LILLY CO ELI (US) 1998-09-30 EP disclosed
EP-0830362-A4 PROCESS FOR THE SYNTHESIS OF VINYL SULFENIC ACID DERIVATIVES LILLY CO ELI (US) 1998-09-02 EP disclosed
EP-0859770-A1 PROCESS FOR THE SYNTHESIS OF BENZO b]THIOPHENES ELI LILLY AND COMPANY (US) 1998-08-26 EP disclosed
US-5606075-A CYCLIZATION IN THE PRESENCE OF AN ACID CATALYST ELI LILLY AND COMPANY (US) 1997-02-25 US disclosed
US-5606076-A CYCLIZATION IN PRESENCE OF AN ACID CATALYST ELI LILLY AND COMPANY (US) 1997-02-25 US disclosed
WO-1996040693-A1 PROCESS FOR THE SYNTHESIS OF VINYL SULFENIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1996-12-19 WO disclosed
WO-1996040678-A1 PROCESS FOR THE SYNTHESIS OF BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1996-12-19 WO disclosed
WO-1996040677-A1 PROCESS FOR THE SYNTHESIS OF BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1996-12-19 WO disclosed
WO-1996040676-A1 PROCESS FOR THE SYNTHESIS OF BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1996-12-19 WO disclosed
WO-1996040691-A1 VINYL SULFOXIDES AND A PROCESS FOR THEIR SYNTHESIS ELI LILLY AND COMPANY (US) 1996-12-19 WO disclosed
US-5569772-A CHEMICAL INTERMEDIATES ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5514826-A INTERMEDIATES FOR 2-ARYLBENZO(B)THIOPHENES ELI LILLY AND COMPANY (US) 1996-05-07 US disclosed
US-5512701-A REACTING SULFOXIDE DERIVATIVE WITH A SILYATING AGENT TO FORM SULFENATE SILYL ESTER, OPTIONALLY REACTING INTERMEDIATE WITH AN AMINE AND/OR A MERCAPTAN ELI LILLY AND COMPANY (US) 1996-04-30 US disclosed