SCHEMBL6894550

SCHEMBL6894550

CC(=O)SCc1ccccc1CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
PTGER1 P34995 4/20 0.44
PTGER4 P35408 4/20 0.44
PTGER3 P43115 4/20 0.44
PTGER2 P43116 4/20 0.44
FFAR1 O14842 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HDAC3 O15379 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
HDAC4 P56524 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 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
SCHEMBL8166288 0.90 HDAC3 (0.49) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL14611610 0.85 MME (0.41) CYP2C19HDAC3HDAC4HDAC1SMN1; SMN2
SCHEMBL7442231 0.85 LMNA (0.37) PTGER1PTGER4PTGER3PTGER2CYP2C19
SCHEMBL16710893 0.82 PTPN1 (0.40) FFAR1CYP2C19ALDH1A1HDAC3HDAC4
SCHEMBL59198 0.81 KEAP1 (0.65) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8909205 0.81 PTGER4 (0.54) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL7438042 0.79 ALDH1A1 (0.40) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL16710884 0.78 CYP4F2 (0.42) CYP2C19ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL878984 0.77 KEAP1 (0.56) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL9787626 0.77 L3MBTL1 (0.53) KEAP1PTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629627-B1 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL MYERS SQUIBB CO (US) 2004-05-06 EP disclosed
US-5859239-A Mercaptoalkanoylamino and acylmercaptoalkanoylamino benzoxazepines and benzothiazepines E. R. SQUIBB & SONS, INC. (US) 1999-01-12 US disclosed
US-5856476-A Processes for preparing azepiones useful as intermediates in the preparation of inhibitors of angiotensin converting enzyme and neutral endopeptidase E. R. SQUIBBS & SONS, INC. (US) 1999-01-05 US disclosed
US-5856477-A HYPOTENSIVE AGENTS; CONGESTIVE HEART FAILURE E. R. SQUIBB & SONS, INC. (US) 1999-01-05 US disclosed
US-5756832-A REACTING AN ALDHYDE WITH AN ORTHOFORMATE IN THE PRESENCE OF AN ACID CATALYST AND AN ALCOHOL BRISTOL-MYERS SQUIBB CO. (US) 1998-05-26 US disclosed
US-5723602-A ANGIOTENSIN CONVERTING ENZYME AND ENDOPEPTIDASE INHIBITORS, CARDIOVASCULAR DISORDERS E. R. SQUIBB & SONS, INC. (US) 1998-03-03 US disclosed
US-5723457-A COMPOUMDS FOR CARDIOVASCULAR DISORDERS AND INHIBITORS OF ANGIOTENSIN CONVERTING ENZYMES E. R. SQUIBB & SONS, INC. (US) 1998-03-03 US disclosed
EP-0599444-B1 Dual action inhibitors SQUIBB & SONS INC (US) 1998-01-28 EP disclosed
US-5672599-A DUAL ACTION ANGIOTENSIN CONVERTING ENZYME INHIBITORS AND NEUTRAL ENDOPEPTIDASE INHIBITORS; TREATMENT OF CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-09-30 US disclosed
US-5670699-A Process for preparing amino acid esters useful as intermediates for compounds containing a fused bicyclic ring BRISTOL-MYERS SQUIBB CO. (US) 1997-09-23 US disclosed
US-5504080-A Benzo-fused lactams BRISTOL-MYERS SQUIBB CO. (US) 1996-04-02 US disclosed
EP-0629627-A2 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-21 EP disclosed
US-5348978-A Angiotensin converting enzyme inhibitors FISONS PLC (GB) 1994-09-20 US disclosed
EP-0599444-A1 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-06-01 EP disclosed
EP-0595610-A1 Benzo-fused lactams E.R. SQUIBB & SONS, INC. (US) 1994-05-04 EP disclosed
EP-0535042-A1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS. FISONS PLC (GB) 1993-04-07 EP disclosed
WO-1992000276-A2 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1992-01-09 WO disclosed
EP-0364767-A1 Mercapto-acylamino acids useful in the treatment of cardiovascular disorders and as analgesics SCHERING CORPORATION (US) 1990-04-25 EP disclosed
WO-1990003364-A1 MERCAPTO-ACYLAMINO ACIDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS AND AS ANALGESICS SCHERING CORPORATION (US) 1990-04-05 WO disclosed
US-4879309-A ENKEPHALINASE INHIBITORS SCHERING CORPORATION (US) 1989-11-07 US disclosed