SCHEMBL8500466

SCHEMBL8500466

CCCCCC/C=C/c1cccc(CCI)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.46
PPARA Q07869 4/20 0.44
PPARG P37231 1/20 0.42
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
EPHX2 P34913 1/20 0.39
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL8500468 1.00 TNNC1 (0.46) TNNC1PPARAPPARGCYP4F2CYP4A11
SCHEMBL27892640 0.90 PPARA (0.53) TNNC1PPARAPPARGLPLLIPG
SCHEMBL8436682 0.89 TNNC1 (0.49) TNNC1PPARAPPARGCYP4F2CYP4A11
SCHEMBL8437030 0.89 PPARA (0.50) TNNC1PPARAPPARGLPLLIPG
SCHEMBL28801237 0.88 PPARA (0.51) TNNC1PPARAPPARGCYP4F2CYP4A11
SCHEMBL8436465 0.87 TNNC1 (0.47) TNNC1PPARAPPARGCYP4F2CYP4A11
SCHEMBL9836116 0.87 PPARA (0.50) TNNC1PPARAPPARGLPLLIPG
Ammonia Solution, Strong SCHEMBL27776409 0.87 PPARA (0.44) TNNC1PPARAPPARGCYP4F2CYP4A11
SCHEMBL9836110 0.87 PPARA (0.50) TNNC1PPARAPPARGLPLLIPG
SCHEMBL8498447 0.86 CYP4F2 (0.54) TNNC1PPARAPPARGCYP4F2CYP4A11

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