SCHEMBL2903640

SCHEMBL2903640

CCOc1ccc(Oc2c(C)n(Cc3cc(O[C@H](C)C(=O)O)ccc3F)c3cc(C(F)(F)F)ccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.57
PTGDR2 Q9Y5Y4 2/20 0.47
AKR1B1 P15121 1/20 0.44
PPARA Q07869 2/20 0.40
CYP2C9 P11712 1/20 0.40
EGFR P00533 1/20 0.40
CHRM4 P08173 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRA2A P08913 1/20 0.40
ALOX5 P09917 1/20 0.40
ADRB3 P13945 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
TACR2 P21452 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRM1 P35372 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
SCHEMBL2902176 0.92 PPARG (0.57) PPARGPTGDR2AKR1B1
SCHEMBL2902224 0.92 PPARG (0.57) PPARGPTGDR2AKR1B1
SCHEMBL2902497 0.92 PPARG (0.66) PPARGPTGDR2AKR1B1PPARACYP2C9
SCHEMBL2902698 0.82 PPARG (0.60) PPARGPTGDR2
SCHEMBL2904111 0.80 PPARG (0.63) PPARGPTGDR2
SCHEMBL2904117 0.80 PPARG (0.63) PPARGPTGDR2
SCHEMBL2900823 0.78 PPARG (0.63) PPARGPTGDR2PPARACYP2C9EGFR
SCHEMBL2896224 0.78 PPARG (0.63) PPARGPTGDR2PPARACYP2C9EGFR
SCHEMBL2896144 0.77 PPARG (0.82) PPARGPTGDR2
SCHEMBL2898058 0.75 PPARG (0.74) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537078-B1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK SHARP & DOHME (US) 2010-04-14 EP disclosed