SCHEMBL8205586

SCHEMBL8205586

O=C(O)c1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)O)cc4c3)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 3/20 0.68
EGFR P00533 3/20 0.56
PIK3CA P42336 3/20 0.56
PLD2 O14939 1/20 0.56
PLD1 Q13393 1/20 0.56
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RXFP1 Q9HBX9 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMAD3 P84022 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
PYGL P06737 2/20 0.51
F7 P08709 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
SCHEMBL8205048 0.94 NHERF1 (0.64) NHERF1EGFRPIK3CAPLD2PLD1
SCHEMBL8204182 0.92 NHERF1 (0.60) NHERF1EGFRPIK3CAPLD2PLD1
SCHEMBL10466165 0.87 MAOA (0.71) NHERF1EGFRPIK3CATP53POLB
SCHEMBL3498709 0.86 EGFR (0.64) NHERF1EGFRPIK3CAPLD2PLD1
SCHEMBL7533561 0.86 NPC1 (0.74) NHERF1EGFRPIK3CATP53POLB
SCHEMBL1842307 0.85 SMAD3 (0.68) NHERF1NPC1RAB9ALMNAMEN1
SCHEMBL29415437 0.85 SMAD3 (0.68) NHERF1NPC1RAB9ALMNAMEN1
SCHEMBL6323639 0.85 KDM4E (0.73) NHERF1TP53POLBMAOAMAOB
SCHEMBL5897662 0.85 NHERF1 (0.56) NHERF1EGFRPIK3CATP53POLB
SCHEMBL5680312 0.84 NHERF1 (0.54) NHERF1EGFRPIK3CAPLD2PLD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359454-B1 CC-1065 analogs having two CPI subunits UPJOHN CO (US) 2000-12-27 EP disclosed
US-5541339-A ANTITUMOR AGENTS THE UPJOHN COMPANY (US) 1996-07-30 US disclosed
WO-1990002746-A1 NOVEL CC-1065 ANALOGS HAVING TWO CPI SUBUNITS THE UPJOHN COMPANY (US) 1990-03-22 WO disclosed
EP-0359454-A1 Novel CC-1065 analogs having two CPI subunits THE UPJOHN COMPANY (US) 1990-03-21 EP disclosed