SCHEMBL9417671

SCHEMBL9417671

CCCCCCCCCCNC(=O)c1ccccc1N(CC(=O)O)CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.60
▸ HTT P42858 2/20 0.57
▸ TSHR P16473 1/20 0.57
▸ HPGD P15428 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ ALOX15 P16050 3/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ EPHX1 P07099 3/20 0.48

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
SCHEMBL9172389 0.87 NAAA (0.58) NAAAHTTTSHRHPGDALDH1A1
SCHEMBL9167102 0.84 NAAA (0.53) NAAAHTTTSHRALDH1A1ALOX15
SCHEMBL9549318 0.83 NAAA (0.67) NAAAHTTTSHRHPGDALDH1A1
SCHEMBL11089468 0.81 HTT (0.86) NAAAHTTTSHRHPGDALDH1A1
SCHEMBL5362359 0.81 HTT (0.86) NAAAHTTTSHRHPGDALDH1A1
SCHEMBL9260536 0.81 HTT (0.86) NAAAHTTTSHRHPGDALDH1A1
SCHEMBL11078107 0.81 HTT (0.86) NAAAHTTTSHRHPGDALDH1A1
SCHEMBL9549393 0.81 NAAA (0.63) NAAAHTTTSHRHPGDALDH1A1
SCHEMBL23610299 0.79 HTT (0.75) NAAAHTTTSHRHPGDALDH1A1
SCHEMBL986325 0.79 HTT (0.75) NAAAHTTTSHRHPGDALDH1A1

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-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 — — EP disclosed
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