SCHEMBL6136574

SCHEMBL6136574

CC(NC(=O)CC1CCCC1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.47
EPHX1 P07099 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 3/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
MME P08473 1/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4414768 1.00 LTA4H (0.52) LTA4HKMT2AHPGDEPHX1SMN1; SMN2
SCHEMBL6136293 0.98 LTA4H (0.55) LTA4HKMT2AHPGDEPHX1SMN1; SMN2
SCHEMBL6136289 0.98 LTA4H (0.55) LTA4HKMT2AHPGDEPHX1SMN1; SMN2
SCHEMBL6136421 0.92 SMN1; SMN2 (0.49) LTA4HEPHX1SMN1; SMN2RAB9APOLB
SCHEMBL4424684 0.92 SMN1; SMN2 (0.49) LTA4HEPHX1SMN1; SMN2RAB9APOLB
SCHEMBL7882899 0.84 KMT2A (0.53) KMT2AHPGDEPHX1SMN1; SMN2EPHX2
SCHEMBL7437533 0.82 HPGD (0.57) LTA4HKMT2AHPGDEPHX1SMN1; SMN2
SCHEMBL6136201 0.82 KMT2A (0.44) KMT2AHPGDEPHX1EPHX2PSEN1
SCHEMBL15906239 0.82 ALDH1A1 (0.54) LTA4HKMT2AHPGDEPHX1SMN1; SMN2
SCHEMBL7411199 0.82 LTA4H (0.50) LTA4HKMT2AHPGDEPHX1SMN1; 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-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