SCHEMBL8498447

SCHEMBL8498447

CCCCCCC=Cc1cccc(CCO)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
TNNC1 P63316 1/20 0.49
PPARA Q07869 4/20 0.47
PPARG P37231 1/20 0.44
PLAU P00749 1/20 0.43
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
HDAC4 P56524 1/20 0.40
MEF2D Q14814 1/20 0.40

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
SCHEMBL8498445 1.00 CYP4F2 (0.54) CYP4F2CYP4A11TNNC1PPARAPPARG
SCHEMBL27892640 0.90 PPARA (0.53) TNNC1PPARAPPARGLPLLIPG
SCHEMBL2007721 0.88 TNNC1 (0.48) CYP4F2CYP4A11TNNC1PPARAPPARG
SCHEMBL2007720 0.88 TNNC1 (0.48) CYP4F2CYP4A11TNNC1PPARAPPARG
SCHEMBL28801237 0.88 PPARA (0.51) CYP4F2CYP4A11TNNC1PPARAPPARG
SCHEMBL1171326 0.87 CYP4F2 (0.49) CYP4F2CYP4A11TNNC1PPARAPPARG
SCHEMBL9836110 0.87 PPARA (0.50) TNNC1PPARAPPARGLPLLIPG
SCHEMBL9836116 0.87 PPARA (0.50) TNNC1PPARAPPARGLPLLIPG
Ammonia Solution, Strong SCHEMBL27776409 0.87 PPARA (0.44) CYP4F2CYP4A11TNNC1PPARAPPARG
SCHEMBL8500466 0.86 TNNC1 (0.46) CYP4F2CYP4A11TNNC1PPARAPPARG

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