SCHEMBL9220199

SCHEMBL9220199

Nc1ccc(C[C@@H]2NC(=O)N(CC(=O)O)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL7303511 1.00 ALOX15 (0.50) ALOX15NPSR1HDAC1HDAC6ALDH1A1
Hydrochloric Acid SCHEMBL9225572 0.99 ALOX15 (0.49) ALOX15NPSR1HDAC1HDAC6ALDH1A1
Hydrochloric Acid SCHEMBL9225576 0.99 ALOX15 (0.49) ALOX15NPSR1HDAC1HDAC6ALDH1A1
SCHEMBL7305372 0.81 KMT2A (0.55) ALOX15NPSR1HDAC1HDAC6ALDH1A1
SCHEMBL9217203 0.81 KMT2A (0.55) ALOX15NPSR1HDAC1HDAC6ALDH1A1
SCHEMBL7277010 0.77 LMNA (0.49) ALDH1A1KMT2AL3MBTL1MEN1TSHR
SCHEMBL7295633 0.76 ALOX15 (0.40) ALOX15NPSR1HDAC1HDAC6ALDH1A1
SCHEMBL9222098 0.75 ALOX15 (0.51) ALOX15NPSR1HDAC1HDAC6ALDH1A1
SCHEMBL11926046 0.70 MAPT (0.53) ALDH1A1TSHR
SCHEMBL11270312 0.69 GAA (0.74) ALOX15NPSR1HDAC1HDAC6ALDH1A1

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-5389614-A Anticoagulants CASSELLA AG (DE) 1995-02-14 US disclosed