SCHEMBL6204815

SCHEMBL6204815

CSC(=C(Oc1ccccc1)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 4/20 0.42
PKM P14618 2/20 0.42
MEN1 O00255 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
PARP10 Q53GL7 1/20 0.38
NSD2 O96028 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL6204756 0.77 ELANE (0.52) TDP1L3MBTL1ELANEKMT2AALDH1A1
SCHEMBL6206060 0.74 TSHR (0.47) TDP1L3MBTL1ELANEKMT2AALDH1A1
SCHEMBL6204942 0.74 ESR1 (0.51) ELANEKMT2A
SCHEMBL11071474 0.74 ELANE (0.47) TDP1L3MBTL1ATMELANEALDH1A1
SCHEMBL18802112 0.73 TDP1 (0.57) TDP1L3MBTL1ATMELANEKMT2A
SCHEMBL6206637 0.73 ELANE (0.43) TDP1L3MBTL1ATMELANEKMT2A
SCHEMBL6206647 0.73 ELANE (0.43) TDP1L3MBTL1ATMELANEKMT2A
SCHEMBL6206048 0.73 ELANE (0.43) TDP1L3MBTL1ATMELANEKMT2A
SCHEMBL6205993 0.73 ELANE (0.43) TDP1L3MBTL1ATMELANEKMT2A
SCHEMBL6251467 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