SCHEMBL6897915

SCHEMBL6897915

CC(=O)SC1(C(=O)O)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.35
CYP2C19 P33261 1/20 0.32
SLC22A12 Q96S37 1/20 0.30
AKR1C1 Q04828 1/20 0.30

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
SCHEMBL11000722 0.79
SCHEMBL18757956 0.76 NPSR1 (0.44)
SCHEMBL21202695 0.74 CYP2C19 (0.35) CYP2C19
SCHEMBL18793 0.73 CYP2C19 (0.38) FFAR3CYP2C19SLC22A12AKR1C1
SCHEMBL9756179 0.71 FFAR3 (0.35) FFAR3CYP2C19SLC22A12AKR1C1
SCHEMBL13910609 0.71 ALDH1A1 (0.33) CYP2C19
SCHEMBL14526662 0.71 CYP2C19 (0.33) CYP2C19
SCHEMBL17153412 0.70
SCHEMBL17481679 0.70 FFAR3 (0.33) FFAR3CYP2C19
SCHEMBL15535822 0.69 FFAR3 (0.34) FFAR3SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3334710-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING NEURODEGENERATIVE DISORDERS Alzheon, Inc. (US) 2018-06-20 EP disclosed
WO-2017027582-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING NEURODEGENERATIVE DISORDERS ALZHEON, INC. (US) 2017-02-16 WO disclosed
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-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-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-5627278-A MULTISTAGE REACTION FORMED BY AMIDATION, COUPLING AND REDUCTION BRISTOL-MYERS SQUIBB CO. (US) 1997-05-06 US disclosed
US-5616775-A ESTERIFYING A N-PROTECTED METHIONINE; OXIDIZING; REACTING WITH AN ACID ANHYDRIDE THEN AN ALKALI METAL HYDROXIDE BRISTOL-MYERS SQUIBB CO. (US) 1997-04-01 US disclosed
US-5508272-A SELECTIVE ACE INHIBITORS, HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-16 US disclosed
CN-1099392-A Compounds containing a fused bicyclic ring and processes therefor BRISTOL MYERS SQIBB COMPANY (US) 1995-03-01 CN 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