SCHEMBL8645341

SCHEMBL8645341

N[C@@](Cc1ccccc1)(NC(CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MME P08473 1/20 0.44
CPA1 P15085 2/20 0.41
CPB1 P15086 1/20 0.41
CPA3 P15088 1/20 0.41
CPB2 Q96IY4 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 1/20 0.38
CASP1 P29466 3/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
ACE P12821 1/20 0.37
LTA4H P09960 2/20 0.37
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37
KIF11 P52732 1/20 0.37
ALPI P09923 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
SCHEMBL26912729 0.72 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AALDH1A1ARG1ARG2
SCHEMBL8814083 0.71 POLB (0.48) SMN1; SMN2MMERAB9AACEPOLB
SCHEMBL11035726 0.71 SMN1; SMN2 (0.56) SMN1; SMN2HIF1AALDH1A1ARG1ARG2
SCHEMBL7224170 0.71 MAPT (0.45) HIF1AGAAMAPTMMECPA1
SCHEMBL31604212 0.71 GAA (0.41) SMN1; SMN2HIF1AGAAMAPTMME
SCHEMBL25221839 0.71 GAA (0.52) GAAMAPTMMECPA1CPB1
SCHEMBL30166762 0.70 GNPAT (0.38) NPSR1ALDH1A1NAALAD2
SCHEMBL9618909 0.70 SMN1; SMN2 (0.54) SMN1; SMN2HIF1AGAAMAPTMME
SCHEMBL60484 0.69 GAA (0.62) GAAMAPTMMECPA1CPB1
SCHEMBL31267566 0.69 GAA (0.62) GAAMAPTMMECPA1CPB1

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
US-5820881-A BIOLOGICALLY AND CHEMICALLY ACTIVE AGENTS, ENZYME INHIBITOR, EXCIPIENT, DILUENT, LUBRICANT, DISINTEGRANT, PLASTICIZER COLORANT AND DOSAGE VEHICLE EMISPHERE TECHNOLOGIES, INC. (US) 1998-10-13 US disclosed