SCHEMBL8499307

SCHEMBL8499307

CCCCCCCCCCCOc1cccc(CCCBr)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.58
PPARG P37231 2/20 0.58
TSHR P16473 1/20 0.56
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
GGPS1 O95749 2/20 0.54
CYP2D6 P10635 4/20 0.54
PLA2G4B P0C869 1/20 0.51
KCNH2 Q12809 1/20 0.51
DHFR P00374 5/20 0.50

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
SCHEMBL9257072 0.95 PPARA (0.60) PPARAPPARGTSHRCNR1CNR2
SCHEMBL28916870 0.91 PPARA (0.62) PPARAPPARGTSHRCNR1CNR2
SCHEMBL17509779 0.91 PPARA (0.68) PPARAPPARGTSHRCNR1CNR2
SCHEMBL17509797 0.91 PPARA (0.68) PPARAPPARGTSHRCNR1CNR2
SCHEMBL17509795 0.91 PPARA (0.68) PPARAPPARGTSHRCNR1CNR2
SCHEMBL17509789 0.91 PPARA (0.68) PPARAPPARGTSHRCNR1CNR2
SCHEMBL17509810 0.91 PPARA (0.68) PPARAPPARGTSHRCNR1CNR2
SCHEMBL17509791 0.91 PPARA (0.68) PPARAPPARGTSHRCNR1CNR2
SCHEMBL17509796 0.91 PPARA (0.68) PPARAPPARGTSHRCNR1CNR2
SCHEMBL17509804 0.91 PPARA (0.68) PPARAPPARGTSHRCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952316-A FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-14 US disclosed
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP disclosed
US-5719176-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-02-17 US disclosed
US-5604229-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-18 US disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP disclosed