SCHEMBL6206062

SCHEMBL6206062

C=C(C(=O)OOc1ccccc1OC)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 4/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL6204759 0.84 TDP1 (0.51) ATMTDP1POLBSMN1; SMN2NPC1
SCHEMBL6204946 0.81 ATM (0.49) ATMTDP1SMN1; SMN2NPC1KMT2A
SCHEMBL6206051 0.81 TDP1 (0.48) ATMTDP1POLBSMN1; SMN2KMT2A
SCHEMBL6208230 0.81 ATM (0.48) ATMTDP1SMN1; SMN2NPC1RAB9A
SCHEMBL6205994 0.81 TDP1 (0.48) ATMTDP1POLBSMN1; SMN2NPC1
SCHEMBL6206638 0.81 ATM (0.48) ATMTDP1POLBSMN1; SMN2NPC1
SCHEMBL6251469 0.80 TDP1 (0.48) ATMTDP1POLBSMN1; SMN2RAB9A
SCHEMBL9124237 0.78 TDP1 (0.53) ATMTDP1POLBSMN1; SMN2KMT2A
SCHEMBL6204389 0.78 ATM (0.46) ATMTDP1SMN1; SMN2NPC1RAB9A
SCHEMBL6206293 0.77 ALDH1A1 (0.54) ATMTDP1POLBSMN1; SMN2NPC1

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-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 WO disclosed