SCHEMBL6204946

SCHEMBL6204946

C=C(C(=O)OOc1ccccc1CC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 5/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DHODH Q02127 1/20 0.35
F2 P00734 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GLA P06280 1/20 0.35
ELANE P08246 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL147466 0.83 L3MBTL1 (0.41) ATMMAPTALDH1A1L3MBTL1NPSR1
SCHEMBL6204759 0.81 TDP1 (0.51) ATMTDP1MAPTALDH1A1L3MBTL1
SCHEMBL6206062 0.81 ATM (0.51) ATMTDP1MAPTL3MBTL1NPSR1
SCHEMBL6206638 0.78 ATM (0.48) ATMTDP1MAPTALDH1A1KDM4E
SCHEMBL6208230 0.78 ATM (0.48) ATMTDP1MAPTALDH1A1L3MBTL1
SCHEMBL6205994 0.78 TDP1 (0.48) ATMTDP1MAPTALDH1A1NPSR1
SCHEMBL6206051 0.78 TDP1 (0.48) ATMTDP1MAPTALDH1A1L3MBTL1
SCHEMBL6251469 0.78 TDP1 (0.48) ATMTDP1MAPTALDH1A1L3MBTL1
SCHEMBL9124237 0.76 TDP1 (0.53) ATMTDP1MAPTALDH1A1L3MBTL1
SCHEMBL6204389 0.76 ATM (0.46) ATMTDP1MAPTALDH1A1MEN1

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