SCHEMBL7002681

SCHEMBL7002681

O=C(c1ccc(O)cc1)C(O)CCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.52
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.47
SRD5A2 P31213 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
TYR P14679 1/20 0.43
DRD1 P21728 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43

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
SCHEMBL2986605 0.81 PDPK1 (0.48) PDPK1LMNAMAPTESR1ESR2
SCHEMBL3323928 0.81 CES1 (0.52) LMNAMAPTHPGDHTTMAPK1
SCHEMBL3319973 0.81 CES1 (0.52) LMNAMAPTHPGDHTTMAPK1
SCHEMBL3319972 0.81 CES1 (0.52) LMNAMAPTHPGDHTTMAPK1
SCHEMBL10846565 0.79 PDPK1 (0.57) PDPK1LMNAMAPTESR1ESR2
SCHEMBL28376164 0.79 LMNA (0.56) PDPK1LMNAMAPTESR1ESR2
SCHEMBL11990926 0.76 SLC6A2 (0.55) PDPK1LMNAMAPTESR1ESR2
SCHEMBL27937876 0.76 LMNA (0.45) PDPK1LMNAMAPTESR1ESR2
SCHEMBL9502922 0.76 PDPK1 (0.63) PDPK1LMNAMAPTESR1ESR2
SCHEMBL5144207 0.75 LMNA (0.44) PDPK1LMNAMAPTESR1ESR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270000-A2 Benzoic acid substituted benzopyrans for the treatment of atherosclerosis Pfizer Products Inc. (US) 2003-01-02 EP disclosed