SCHEMBL6136421

SCHEMBL6136421

CC(NC(=O)CC1CC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
LTA4H P09960 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
FAAH O00519 3/20 0.39
MME P08473 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ACACB O00763 1/20 0.38
RAB9A P51151 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
TSHR P16473 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL4424684 1.00 SMN1; SMN2 (0.49) SMN1; SMN2LTA4HPOLBALDH1A1MAPT
SCHEMBL6136574 0.92 LTA4H (0.52) SMN1; SMN2LTA4HPOLBALDH1A1MAPT
SCHEMBL4414768 0.92 LTA4H (0.52) SMN1; SMN2LTA4HPOLBALDH1A1MAPT
SCHEMBL6136289 0.91 LTA4H (0.55) SMN1; SMN2LTA4HPOLBRAB9AEPHX1
SCHEMBL6136293 0.91 LTA4H (0.55) SMN1; SMN2LTA4HPOLBRAB9AEPHX1
SCHEMBL10199651 0.81 KMT2A (0.45) FAAHACACBRAB9ATSHREPHX1
SCHEMBL4412011 0.81 TSHR (0.45) POLBALDH1A1MAPTACACBTSHR
SCHEMBL6136272 0.81 TSHR (0.45) POLBALDH1A1MAPTACACBTSHR
SCHEMBL25480858 0.78 ACACB (0.39) LTA4HACACBRAB9AEPHX1
SCHEMBL23187995 0.78 ACACB (0.39) LTA4HACACBRAB9AEPHX1

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-0951464-B1 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2005-05-11 EP claimed