SCHEMBL6204752

SCHEMBL6204752

C/C(C(=O)O)=C(\Oc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.52
CYP1A2 P05177 1/20 0.45
MAPT P10636 5/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 1/20 0.41
PARP10 Q53GL7 1/20 0.41
NSD2 O96028 1/20 0.41

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
SCHEMBL9562937 1.00 ELANE (0.52) ELANECYP1A2MAPTTDP1ALDH1A1
SCHEMBL1137905 0.80 TSHR (0.54) ELANEMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL8975525 0.80 TSHR (0.54) ELANEMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL263164 0.80 TSHR (0.54) ELANEMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL27213069 0.80 MEN1 (0.50) ELANEMAPTTDP1ALDH1A1KMT2A
SCHEMBL9310344 0.79 ELANE (0.48) ELANECYP1A2MAPTTDP1ALDH1A1
SCHEMBL6207375 0.78 TSHR (0.47) ELANECYP1A2MAPTTDP1ALDH1A1
SCHEMBL6206058 0.78 TSHR (0.47) ELANECYP1A2MAPTTDP1ALDH1A1
SCHEMBL2956113 0.78 ELANE (0.47) ELANECYP1A2MAPTTDP1ALDH1A1
SCHEMBL6065985 0.78 ELANE (0.47) ELANECYP1A2MAPTTDP1ALDH1A1

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