SCHEMBL4026110

SCHEMBL4026110

CC(C)(S)CNC(=O)CCCO

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
NAAA Q02083 1/20 0.36
FAAH O00519 1/20 0.35
GAA P10253 1/20 0.35
CNR1 P21554 3/20 0.35
CAMK2A Q9UQM7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN1 P18031 1/20 0.34
PTGS1 P23219 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SELP P16109 1/20 0.33

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
SCHEMBL4692917 0.82 SLC22A6 (0.42) RECQLTSHR
SCHEMBL11520316 0.82 RECQL (0.41) RECQLNAAAFAAHGAACNR1
SCHEMBL4028377 0.78 PHF8 (0.43) ALDH1A1
SCHEMBL11519140 0.77 RECQL (0.39) RECQLNAAAFAAHGAACNR1
SCHEMBL20903409 0.76 RECQL (0.36) RECQLNAAAFAAHGAACNR1
SCHEMBL5698869 0.75 PAOX (0.45) RECQL
SCHEMBL9500008 0.74 RECQL (0.42) RECQLNAAAFAAHGAACNR1
Hydrochloric Acid SCHEMBL28865405 0.73 KDM4E (0.38) RECQLNAAAGAACNR1CAMK2A
Oxalic Acid SCHEMBL9795310 0.73 KDM4E (0.36) RECQLNAAAFAAHGAACNR1
SCHEMBL9498341 0.72 RECQL (0.40) RECQLNAAAFAAHGAACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821589-B1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NITROMED INC (US) 2009-02-04 EP disclosed
EP-0821589-A4 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NITROMED INC (US) 2002-05-15 EP disclosed
EP-0821589-A1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS Nitromed, Inc. (US) 1998-02-04 EP disclosed
WO-1996032946-A1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NITROMED, INC. (US) 1996-10-24 WO disclosed