SCHEMBL8959409

SCHEMBL8959409

CNc1ccc(I)cc1C(=O)NCCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
MAP2K1 Q02750 4/20 0.40
MAP2K2 P36507 3/20 0.40
PTPRC P08575 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPRA P18433 1/20 0.40
PTPRB P23467 1/20 0.40
PTPRE P23469 1/20 0.40
PTPN6 P29350 1/20 0.40
FOLH1 Q04609 3/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR1H4 Q96RI1 3/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
APEX1 P27695 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL7323307 0.83 CYP1A2 (0.39) MAP2K1MAP2K2
SCHEMBL7329535 0.79 CA1 (0.42) NPSR1FOLH1LMNAL3MBTL1CA1
SCHEMBL9317706 0.79 GCG (0.44) MAP2K1MAP2K2LMNA
SCHEMBL9318985 0.79 AKR1C3 (0.48) LMNATDP1
SCHEMBL7326655 0.77 FFAR1 (0.45) LMNACA1CA2
SCHEMBL9317620 0.76 AKR1C3 (0.47) MAP2K1MAP2K2NR1H4PPARGPPARA
SCHEMBL2384775 0.76 PTPRC (0.64) MAP2K1MAP2K2PTPRCPTPN2PTPN1
SCHEMBL7325460 0.75 PTPRC (0.38) MAP2K1MAP2K2PTPRCPTPN2PTPN1
SCHEMBL7328964 0.73 MAP2K1 (0.38) MAP2K1MAP2K2PTPRCPTPN2PTPN1
SCHEMBL6706077 0.72 KDM4E (0.64) MAP2K1MAP2K2PTPRCPTPN2PTPN1

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-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed