SCHEMBL6204819

SCHEMBL6204819

CSC(Oc1ccccc1)=C(C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
ELANE P08246 5/20 0.43
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
PARP10 Q53GL7 1/20 0.38
NSD2 O96028 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
SCHEMBL6204762 0.78 ELANE (0.53) TDP1L3MBTL1ATMELANEKMT2A
SCHEMBL6206065 0.74 TSHR (0.47) TDP1L3MBTL1ELANEKMT2AALDH1A1
SCHEMBL6204948 0.74 ELANE (0.51) TDP1L3MBTL1ELANEKMT2AALDH1A1
SCHEMBL1145279 0.74 ELANE (0.51) TDP1L3MBTL1ELANEKMT2AALDH1A1
SCHEMBL18802112 0.73 TDP1 (0.57) TDP1L3MBTL1ATMELANEKMT2A
SCHEMBL6205997 0.73 ELANE (0.43) TDP1L3MBTL1ATMELANEKMT2A
SCHEMBL6206652 0.73 ELANE (0.43) TDP1L3MBTL1ATMELANEKMT2A
SCHEMBL6206053 0.73 ELANE (0.43) TDP1L3MBTL1ATMELANEKMT2A
SCHEMBL6206639 0.73 ELANE (0.43) TDP1L3MBTL1ATMELANEKMT2A
SCHEMBL6204815 0.72 TDP1 (0.44) TDP1L3MBTL1ATMELANEKMT2A

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