SCHEMBL13870224

SCHEMBL13870224

Cc1ccc(NC(=O)CC(O)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ POLB P06746 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ GAA P10253 1/20 0.51
▸ HDAC3 O15379 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC10 Q969S8 2/20 0.50
▸ HDAC11 Q96DB2 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ FNTA P49354 1/20 0.50

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
SCHEMBL8563381 0.84 HPGD (0.62) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
SCHEMBL13778192 0.82 RAB9A (0.51) SMN1; SMN2MAPTLMNAHPGDGAA
SCHEMBL10948798 0.81 SMN1; SMN2 (0.65) SMN1; SMN2POLBALDH1A1TDP1MAPT
SCHEMBL8361578 0.80 PTPN1 (0.76) SMN1; SMN2POLBALDH1A1TDP1MAPT
SCHEMBL14509053 0.79 POLB (0.61) SMN1; SMN2POLBALDH1A1TDP1MAPT
SCHEMBL10952227 0.78 LMNA (0.72) SMN1; SMN2POLBALDH1A1TDP1MAPT
Malic Acid SCHEMBL2465724 0.77 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1MAPTLMNAGAA
SCHEMBL9979382 0.77 POLB (0.63) SMN1; SMN2POLBALDH1A1TDP1MAPT
SCHEMBL9979332 0.77 POLB (0.63) SMN1; SMN2POLBALDH1A1TDP1MAPT
SCHEMBL17368409 0.77 POLB (0.63) SMN1; SMN2POLBALDH1A1TDP1MAPT

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-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 — — US disclosed
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