SCHEMBL13675817

SCHEMBL13675817

Cc1ccc(N[C@H](C=O)CC=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA12 O43570 1/20 0.42
MMP8 P22894 1/20 0.42
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2A6 P11509 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TGM2 P21980 1/20 0.34
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
DHODH Q02127 1/20 0.33
NMT1 P30419 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
SCHEMBL13675539 1.00 CA1 (0.42) CA1CA12MMP8MAPTPOLB
SCHEMBL13675805 0.79 ALDH1A1 (0.47) CA1CA12MMP8MAPTPOLB
SCHEMBL13675809 0.79 ALDH1A1 (0.47) CA1CA12MMP8MAPTPOLB
SCHEMBL13675804 0.76 CA1 (0.41) CA1CA12MMP8MAPTPOLB
SCHEMBL13675810 0.76 CA1 (0.41) CA1CA12MMP8MAPTPOLB
SCHEMBL2629438 0.76 CA12 (0.38) CA1CA12MMP8MAPTPOLB
SCHEMBL13675544 0.73 MAPT (0.50) CA1CA12MMP8MAPTPOLB
SCHEMBL13675806 0.73 MAPT (0.50) CA1CA12MMP8MAPTPOLB
SCHEMBL28029795 0.72 CA1 (0.47) CA1CA12MMP8MAPTPOLB
SCHEMBL3628968 0.67 CYP2A6 (0.38) MAPTMEN1LMNAKMT2ACYP2A6

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-7601842-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-13 US disclosed