SCHEMBL8047659

SCHEMBL8047659

Oc1ccc2c(c1)CCc1cc(O)ccc1-c1ccc-2cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.55
NR1H3 Q13133 1/20 0.55
HSD17B1 P14061 2/20 0.55
MAOB P27338 2/20 0.53
MAOA P21397 1/20 0.53
PRKCI P41743 1/20 0.53
HSP90AA1 P07900 1/20 0.52
ESR1 P03372 6/20 0.50
ESR2 Q92731 6/20 0.50
CYP26A1 O43174 3/20 0.47
MIF P14174 2/20 0.47
PBRM1 Q86U86 1/20 0.47
ALOX5 P09917 1/20 0.46
AKR1B1 P15121 1/20 0.46
HSD17B10 Q99714 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL784291 0.87 MAOB (0.59) NR1H2NR1H3HSD17B1MAOBMAOA
SCHEMBL12442922 0.77 MAOB (0.50) NR1H2NR1H3HSD17B1MAOBMAOA
SCHEMBL8460792 0.77 SRD5A1 (0.56) NR1H2NR1H3MAOBMAOAPRKCI
SCHEMBL389710 0.77 MAOB (0.78) HSD17B1MAOBMAOAPRKCIHSP90AA1
SCHEMBL23142696 0.76 MAOB (0.58) HSD17B1MAOBMAOAPRKCIHSP90AA1
SCHEMBL783656 0.76 MAOB (0.48) NR1H2NR1H3HSD17B1MAOBMAOA
SCHEMBL31268298 0.76 SRD5A1 (0.58) NR1H2NR1H3HSD17B1MAOBMAOA
SCHEMBL23036050 0.76 SRD5A1 (0.58) NR1H2NR1H3HSD17B1MAOBMAOA
SCHEMBL803069 0.76 MIF (0.54) NR1H2NR1H3HSD17B1MAOBMAOA
SCHEMBL24411798 0.74 ESR1 (0.64) HSD17B1MAOBMAOAPRKCIESR1

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
US-6077928-A Bis(dialkylmaleimide) derivative and polyetherimide for optical communications formed therefrom SAMSUNG ELECTRONICS CO., LTD. (KR) 2000-06-20 US disclosed
US-6031061-A Bis (triaklyltrimellitic anhydride) derivative and polyesterimide for optical communications formed therefrom SAMSUNG ELECTRONICS CO., LTD. (KR) 2000-02-29 US disclosed