SCHEMBL6905360

SCHEMBL6905360

C[C@H](NC(=O)Cc1ccco1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HPGD P15428 3/20 0.48
POLB P06746 2/20 0.48
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
GAA P10253 3/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL6905358 1.00 ALDH1A1 (0.51) ALDH1A1HPGDPOLBPSEN1PSEN2
SCHEMBL21676274 0.85 VHL (0.50) ALDH1A1HPGDPOLBPSEN1PSEN2
SCHEMBL1356508 0.81 ALDH1A1 (0.54) ALDH1A1HPGDPOLBGAATP53
SCHEMBL1356510 0.81 ALDH1A1 (0.54) ALDH1A1HPGDPOLBGAATP53
SCHEMBL11627001 0.81 ALDH1A1 (0.45) ALDH1A1HPGDPOLBNPSR1PLA2G1B
SCHEMBL13411549 0.76 ALDH1A1 (0.49) ALDH1A1HPGDPOLBGAAHSD17B10
SCHEMBL2177216 0.75 POLB (0.63) ALDH1A1HPGDPOLBKMT2AMAPT
SCHEMBL8035990 0.75 POLB (0.63) ALDH1A1HPGDPOLBKMT2AMAPT
SCHEMBL2177223 0.75 POLB (0.63) ALDH1A1HPGDPOLBKMT2AMAPT
SCHEMBL8809022 0.74 ALDH1A1 (0.50) ALDH1A1HPGDPOLBKMT2AHSD17B10

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-6683075-B1 FUSED NITROGENHETEROCYCLIC AMIDES; ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2004-01-27 US disclosed