SCHEMBL6205993

SCHEMBL6205993

O=C(O)C(Oc1ccccc1)=C(Cl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.43
DAO P14920 1/20 0.43
TSHR P16473 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
PARP10 Q53GL7 1/20 0.41
NSD2 O96028 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
PRSS1 P07477 1/20 0.40
ACR P10323 1/20 0.40
TMPRSS15 P98073 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SRD5A2 P31213 1/20 0.39

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
SCHEMBL6206048 0.81 ELANE (0.43) ELANEPARP10NSD2TDP1L3MBTL1
SCHEMBL6206637 0.77 ELANE (0.43) ELANEPARP10NSD2TDP1L3MBTL1
SCHEMBL6204756 0.77 ELANE (0.52) ELANETSHRPARP10NSD2TDP1
SCHEMBL6206647 0.77 ELANE (0.43) ELANEPARP10NSD2TDP1L3MBTL1
SCHEMBL10943483 0.76 TDP1 (0.39) ELANENSD2TDP1L3MBTL1ATM
SCHEMBL10943476 0.76 TDP1 (0.39) ELANENSD2TDP1L3MBTL1ATM
SCHEMBL6206060 0.74 TSHR (0.47) ELANETSHRTDP1L3MBTL1KMT2A
SCHEMBL6204942 0.74 ESR1 (0.51) ELANEKMT2A
SCHEMBL11071474 0.74 ELANE (0.47) ELANETSHRNAPRTNSD2TDP1
SCHEMBL6205992 0.73 ELANE (0.43) ELANEDAOTSHRNAPRTPARP10

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