SCHEMBL9498341

SCHEMBL9498341

CC(C)(CN)CNC(=O)CCCCO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
GAA P10253 2/20 0.39
FAAH O00519 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PTPN1 P18031 1/20 0.35
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
HTT P42858 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SELP P16109 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAAA Q02083 1/20 0.33
DNM1 Q05193 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
Oxalic Acid SCHEMBL9795310 0.90 KDM4E (0.36) RECQLGAAFAAHPTPN1CNR1
SCHEMBL27817907 0.86 FAAH (0.53) FAAHALDH1A1DNM1
SCHEMBL9500008 0.81 RECQL (0.42) RECQLGAAFAAHTDP1PTPN1
SCHEMBL27837328 0.79 CTSD (0.45) FAAHKDM4EALDH1A1
SCHEMBL9795321 0.78 RECQL (0.37) RECQLGAAFAAHCNR1KDM4E
Oxalic Acid SCHEMBL9795316 0.77 FNTA (0.41) RECQLGAAFAAHTDP1PTPN1
Oxalic Acid SCHEMBL9795337 0.76 FNTA (0.43) RECQLGAAFAAHTDP1PTPN1
SCHEMBL9501592 0.76 RECQL (0.36) RECQLGAACNR1TSHR
SCHEMBL20903409 0.75 RECQL (0.36) RECQLGAAFAAHTDP1PTPN1
SCHEMBL18569933 0.75 MEN1 (0.43) KDM4ETSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0367019-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING NITROXYALKYL AMINE WITH AN AMIDE FUNCTION, AND METHOD FOR THE PREPARATION OF THE COMPOUNDS Roche Diagnostics GmbH (DE) 1993-05-12 EP disclosed