SCHEMBL9645548

SCHEMBL9645548

Oc1ccc(Sc2ccc(O)cc2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.56
HSP90AA1 P07900 1/20 0.42
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TYR P14679 2/20 0.38
CES2 O00748 1/20 0.37
DHFR P00374 1/20 0.37
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL8945922 0.87 ALOX5 (0.47) NR1H2HSP90AA1TSHRTYRCA2
SCHEMBL29524489 0.85 TYR (0.44) NR1H2HSP90AA1CYP3A4ALOX15HIF1A
SCHEMBL562184 0.85 TYR (0.44) NR1H2HSP90AA1CYP3A4ALOX15HIF1A
SCHEMBL1561810 0.79 ALOX15 (0.41) NR1H2HSP90AA1CYP3A4ALOX15HIF1A
SCHEMBL1454650 0.78 NR1H2 (0.52) NR1H2HSP90AA1CYP3A4ALOX15HIF1A
SCHEMBL11092955 0.78 NR1H2 (0.52) NR1H2CYP3A4ALOX15HIF1AHSD17B10
SCHEMBL5399446 0.77 NR1H2 (0.56) NR1H2HSP90AA1CYP3A4ALOX15HIF1A
SCHEMBL11728749 0.77 ALDH1A1 (0.50) NR1H2HSP90AA1CYP3A4ALOX15HIF1A
SCHEMBL21938771 0.77 TYR (0.38) NR1H2CYP3A4ALOX15HIF1AHSD17B10
SCHEMBL8756504 0.77 PTGS2 (0.60) CYP3A4ALOX15HIF1AHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257011-B1 PERMEATION MODIFIED ASYMMETRIC GAS SEPARATION MEMBRANES HAVING GRADED DENSITY SKINS PERMEA, Inc. (US) 1992-10-07 EP disclosed
US-4728346-A PERMSELECTIVITY PERMEA INC. (US) 1988-03-01 US disclosed
EP-0257011-A2 Permeation modified asymmetric gas separation membranes having graded density skins PERMEA, Inc. (US) 1988-02-24 EP disclosed
US-4575385-A POLYSULFONES CONTACTED WITH BENZENE COMPOUND MONSANTO COMPANY (US) 1986-03-11 US disclosed