SCHEMBL6896498

SCHEMBL6896498

CC(=O)NC(CCCCO)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
PTGS2 P35354 1/20 0.53
THPO P40225 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
ALDH1A1 P00352 1/20 0.52
GNPAT O15228 3/20 0.51
FOLH1 Q04609 4/20 0.49
ALB P02768 2/20 0.44
NOD1 Q9Y239 1/20 0.41
TGFBR1 P36897 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
RIMKLA Q8IXN7 1/20 0.39
NAALAD2 Q9Y3Q0 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
SCHEMBL6841658 1.00 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL7719184 0.98 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL16745724 0.87 GNPAT (0.62) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL468749 0.85 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL468750 0.85 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL6464987 0.84 NOD1 (0.57) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL26222742 0.84 NOD1 (0.57) SMN1; SMN2KDM4EMAPTTHRBALOX15
Methane SCHEMBL5044803 0.83 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EMAPTTHRBALOX15
Methane SCHEMBL5044798 0.83 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EMAPTTHRBALOX15
Hydrogen Sulfide SCHEMBL27584727 0.83 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EMAPTTHRBALOX15

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 8 patents. 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-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
EP-0629627-A2 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-21 EP disclosed