SCHEMBL8039286

SCHEMBL8039286

O=C(O)c1ccc2c(c1)nc(C1CC1)n2Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.67
JAK2 O60674 5/20 0.49
JAK1 P23458 5/20 0.49
TYK2 P29597 5/20 0.49
JAK3 P52333 5/20 0.49
CCR2 P41597 4/20 0.49
ABCB11 O95342 1/20 0.47
TBXA2R P21731 1/20 0.47
RHEB Q15382 1/20 0.47

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
SCHEMBL8035322 0.87 PPARG (0.65) PPARGJAK2JAK1TYK2JAK3
SCHEMBL4535196 0.83 PPARG (0.72) PPARGCCR2TBXA2RRHEB
SCHEMBL8040521 0.81 PPARG (0.68) PPARGCCR2TBXA2R
SCHEMBL8037645 0.81 PPARG (1.00) PPARG
SCHEMBL8037684 0.81 PPARG (1.00) PPARG
SCHEMBL8028794 0.80 PPARG (0.69) PPARGCCR2ABCB11TBXA2R
SCHEMBL8028791 0.79 PPARG (0.69) PPARGCCR2ABCB11TBXA2RRHEB
SCHEMBL6243182 0.79 AGTR1 (0.61) PPARGTBXA2R
SCHEMBL6242822 0.74 USP2 (0.60) PPARGTBXA2R
SCHEMBL6307747 0.74 CCR2 (0.81) CCR2ABCB11

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
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed