SCHEMBL4981880

SCHEMBL4981880

CCCCc1ccc(C#Cc2ccc(CC(NC(=O)C(=O)O)c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.42
FFAR1 O14842 1/20 0.41
PTGES O14684 1/20 0.41
UTS2R Q9UKP6 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
PLK1 P53350 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 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
SCHEMBL4966603 0.96 PLK1 (0.43) ACACBFFAR1PTGESUTS2RPLK1
SCHEMBL4978882 0.89 PLK1 (0.47) UTS2RPLK1CYP1A2CYP2C9
SCHEMBL1852713 0.88 ACACB (0.51) ACACB
SCHEMBL1851806 0.87 FFAR1 (0.50) ACACBFFAR1CYP1A2CYP2C9
SCHEMBL5039404 0.80 ACACB (0.39) ACACBFFAR1PTGESUTS2RCYP1A2
SCHEMBL1852984 0.79 MLYCD (0.51) PLK1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL6718959 0.78 SOAT1 (0.52) UTS2R
SCHEMBL1855570 0.77 MTTP (0.44) ACACBUTS2RCYP1A2CYP3A4CYP2C9
SCHEMBL6719336 0.76 PTGES (0.42) FFAR1PTGESCYP1A2CYP3A4CYP2C9
SCHEMBL1855001 0.76 PPARG (0.39) FFAR1UTS2RCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904048-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP claimed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO claimed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed