SCHEMBL7862759

SCHEMBL7862759

CC(=O)N(C1CCCCC1)[C@@H](C)[C]=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
S1PR1 P21453 2/20 0.33
ALDH1A1 P00352 1/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
TDP2 O95551 1/20 0.33
S1PR4 O95977 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 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
SCHEMBL9147623 0.81 DPP4 (0.34) ADH1BADH1CADH1ATSHR
SCHEMBL11532323 0.80 ADH1C (0.45) ADH1BADH1CADH1ATSHRKDM4E
SCHEMBL7746567 0.80 ALDH1A1 (0.33) ADH1BADH1CADH1ATSHRALDH1A1
SCHEMBL9462834 0.78 ADH1B (0.42) ADH1BADH1CADH1ATSHRKDM4E
SCHEMBL7274979 0.77 GAA (0.33) ADH1BADH1CADH1ATSHR
SCHEMBL7274973 0.77 GAA (0.33) ADH1BADH1CADH1ATSHR
SCHEMBL8407475 0.77 ADH1B (0.38) ADH1BADH1CADH1ATSHRMAPT
SCHEMBL5862745 0.77 ADH1B (0.38) ADH1BADH1CADH1ATSHRMAPT
SCHEMBL25778088 0.76 ADH1B (0.39) ADH1BADH1CADH1AKDM4EMAPT
SCHEMBL3957146 0.74 ADH1A (0.42) ADH1BADH1CADH1ATSHRS1PR1

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-0683792-B1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LAB (US) 2001-09-26 EP disclosed
EP-0673254-A4 6-POSITION MODIFIED DECAPEPTIDE LHRH ANTAGONISTS. ABBOTT LAB (US) 1998-11-18 EP disclosed
EP-0673254-A1 6-POSITION MODIFIED DECAPEPTIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1995-09-27 EP disclosed
WO-1994013313-A1 6-POSITION MODIFIED DECAPEPTIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1994-06-23 WO disclosed