SCHEMBL11040528

SCHEMBL11040528

C[C@H](OCc1ccccc1)[C@@H](N)C(=O)OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SLC15A1 P46059 1/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL11036090 1.00 KMT2A (0.51) KMT2ATDP1SLC6A2SLC6A3SLC1A3
SCHEMBL5196444 0.84 SLC1A3 (0.55) KMT2ATDP1SLC6A2SLC6A3SLC1A3
SCHEMBL19853299 0.84 SLC1A3 (0.55) KMT2ATDP1SLC6A2SLC6A3SLC1A3
SCHEMBL19853461 0.84 SLC1A3 (0.55) KMT2ATDP1SLC6A2SLC6A3SLC1A3
SCHEMBL5196443 0.84 SLC1A3 (0.55) KMT2ATDP1SLC6A2SLC6A3SLC1A3
SCHEMBL27293694 0.82 KMT2A (0.57) KMT2ATDP1SLC6A2SLC6A3SLC1A3
Hydrochloric Acid SCHEMBL19614463 0.82 SLC1A3 (0.54) KMT2ATDP1SLC6A2SLC6A3SLC1A3
Hydrochloric Acid SCHEMBL19614462 0.82 SLC1A3 (0.54) KMT2ATDP1SLC6A2SLC6A3SLC1A3
Hydrochloric Acid SCHEMBL19614467 0.82 SLC1A3 (0.54) KMT2ATDP1SLC6A2SLC6A3SLC1A3
SCHEMBL1631290 0.82 SLC1A3 (0.54) KMT2ASLC1A3SLC1A2SLC1A1MEN1

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-0036713-B1 ANGIOTENSIN CONVERTING ENZYME INHIBITORS UNIVERSITY OF MIAMI (US) 1984-01-18 EP disclosed