SCHEMBL28782801

SCHEMBL28782801

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.44
GRIN1 Q05586 8/20 0.44
GRIN2B Q13224 8/20 0.44
AR P10275 1/20 0.42
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ABCB11 O95342 1/20 0.38
MDM2 Q00987 1/20 0.37
P2RX7 Q99572 3/20 0.37
EPHX1 P07099 1/20 0.36
SLC6A9 P48067 1/20 0.36
KCNH2 Q12809 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
SCHEMBL27797356 0.91 FFAR1 (0.40) RXRAGRIN1GRIN2BMDM2P2RX7
SCHEMBL2661487 0.90 RXRA (0.41) RXRAGRIN1GRIN2BARLMNA
SCHEMBL28782751 0.87 ABCB11 (0.51) ABCB11P2RX7CCR2
SCHEMBL2661784 0.85 AR (0.41) RXRAGRIN1GRIN2BARLMNA
SCHEMBL2661623 0.84 LMNA (0.42) RXRAGRIN1GRIN2BARLMNA
SCHEMBL27776196 0.83 P2RX7 (0.43) ABCB11P2RX7CCR2
SCHEMBL27776345 0.83 CCR9 (0.44) MAPTCCR2
SCHEMBL28785588 0.81 VNN1 (0.43) RXRAGRIN1GRIN2BLMNATP53
SCHEMBL27776162 0.81 CA12 (0.41) TP53CCR2
SCHEMBL27776347 0.81 CCR2 (0.41) ABCB11MDM2CCR2

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