SCHEMBL8498237

SCHEMBL8498237

[O]CCCCCCCCCCCCCc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.41
IDO1 P14902 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
AOC3 Q16853 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
SCHEMBL8497443 1.00 TAAR1 (0.48) TAAR1MAOBLMNAIDO1LOXL2
SCHEMBL8498563 1.00 TAAR1 (0.48) TAAR1MAOBLMNAIDO1LOXL2
SCHEMBL8497299 1.00 TAAR1 (0.48) TAAR1MAOBLMNAIDO1LOXL2
SCHEMBL8499777 1.00 TAAR1 (0.48) TAAR1MAOBLMNAIDO1LOXL2
SCHEMBL8499020 1.00 TAAR1 (0.48) TAAR1MAOBLMNAIDO1LOXL2
SCHEMBL1047917 1.00 TAAR1 (0.48) TAAR1MAOBLMNAIDO1LOXL2
SCHEMBL1045945 1.00 TAAR1 (0.48) TAAR1MAOBLMNAIDO1LOXL2
SCHEMBL8498682 1.00 TAAR1 (0.48) TAAR1MAOBLMNAIDO1LOXL2
SCHEMBL8495738 1.00 TAAR1 (0.48) TAAR1MAOBLMNAIDO1LOXL2
SCHEMBL1287203 0.98 TAAR1 (0.50) TAAR1MAOBLMNAIDO1LOXL2

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