SCHEMBL7050834

SCHEMBL7050834

CCCCOC(=O)NC(CC(=O)O)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
RXFP1 Q9HBX9 1/20 0.44
FAAH O00519 1/20 0.40
ESR1 P03372 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.39
PTGS2 P35354 1/20 0.38
GRM8 O00222 3/20 0.37
GRM6 O15303 3/20 0.37
GRM4 Q14833 3/20 0.37
GRM7 Q14831 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL9620074 0.85 ESR1 (0.41) MAPTESR1SMN1; SMN2ALDH1A1TDP1
SCHEMBL4711953 0.84 MAPT (0.50) MAPTFAAHSMN1; SMN2ALDH1A1TDP1
SCHEMBL16680263 0.78 ITGB3 (0.45) FAAHSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL5085765 0.77 SMN1; SMN2 (0.50) MAPTFAAHSMN1; SMN2NPC1HPGD
SCHEMBL7050830 0.77 ALDH1A1 (0.57) ALDH1A1
SCHEMBL5499794 0.77 POLB (0.57) MAPTFAAHSMN1; SMN2ALDH1A1NPC1
SCHEMBL14040614 0.77 SMN1; SMN2 (0.57) MAPTRXFP1FAAHSMN1; SMN2ALDH1A1
SCHEMBL844472 0.77 SMN1; SMN2 (0.57) MAPTRXFP1FAAHSMN1; SMN2ALDH1A1
SCHEMBL4097623 0.76 SMN1; SMN2 (0.48) FAAHSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL2320404 0.76 FAAH (0.59) MAPTRXFP1FAAHSMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301474-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS Array Biopharma Inc. (US) 2003-04-16 EP disclosed
WO-2002004412-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2002-01-17 WO disclosed