SCHEMBL9318985

SCHEMBL9318985

COc1ccc(Nc2ccc(I)cc2C(=O)NCCC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.48
AKR1C2 P52895 8/20 0.48
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
PTGS2 P35354 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGS1 P23219 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
FPR2 P25090 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
SCHEMBL7322908 0.87 PTGS2 (0.43) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL9317706 0.85 GCG (0.44) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL9319038 0.83 CTSV (0.71) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL9317620 0.82 AKR1C3 (0.47) AKR1C3AKR1C2
SCHEMBL8959409 0.79 NPSR1 (0.40) LMNATDP1
SCHEMBL7322396 0.76 ALDH1A1 (0.45) AKR1C3AKR1C2MAPTLMNAPOLB
SCHEMBL7326028 0.75 MAPT (0.41) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL5676620 0.74 MEN1 (0.75) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL7326942 0.72 KMT2A (0.41) MEN1KMT2ALMNAHPGDHSD17B10
SCHEMBL7332598 0.72 AKR1C3 (0.43) AKR1C3AKR1C2MAPTMEN1KMT2A

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-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed