SCHEMBL27797356

SCHEMBL27797356

CC(C)c1cc(C(=O)O)n(Cc2ccc(C(F)(F)F)c(F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.40
MDM2 Q00987 8/20 0.40
PTGER4 P35408 1/20 0.39
RXRA P19793 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
PDE2A O00408 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
KIF11 P52732 1/20 0.36
PPARG P37231 1/20 0.36
KCNH2 Q12809 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
P2RX7 Q99572 1/20 0.36
CCR2 P41597 2/20 0.36

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
SCHEMBL28782801 0.91 RXRA (0.44) MDM2RXRAGRIN1GRIN2BKCNH2
SCHEMBL28782751 0.85 ABCB11 (0.51) P2RX7CCR2
SCHEMBL2661992 0.85 PTGER4 (0.39) FFAR1MDM2PTGER4PDE2AKIF11
SCHEMBL27776347 0.83 CCR2 (0.41) MDM2PTGER4CCR2
SCHEMBL27776345 0.83 CCR9 (0.44) PTGER4CCR2
SCHEMBL27776162 0.81 CA12 (0.41) CCR2
SCHEMBL27776196 0.81 P2RX7 (0.43) PPARGP2RX7CCR2
SCHEMBL2661487 0.81 RXRA (0.41) MDM2RXRAGRIN1GRIN2BP2RX7
SCHEMBL27776179 0.80 PTGER4 (0.48) PTGER4RXRAGRIN1GRIN2B
SCHEMBL27776172 0.78 CYP2D6 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679365-A As the new pyrrole-2-carboxamides derivatives of glucokinase activators, their manufacture method and pharmaceutical application ADVINUS THERAPEUTICS PRIVATE L 2010-03-24 CN claimed
CN-101679365-A As the new pyrrole-2-carboxamides derivatives of glucokinase activators, their manufacture method and pharmaceutical application ADVINUS THERAPEUTICS PRIVATE L 2010-03-24 CN disclosed