SCHEMBL1745230

SCHEMBL1745230

COC(=O)/C=C/c1cc(F)c(OC2CCc3ccccc32)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.42
PIN1 Q13526 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
FFAR1 O14842 3/20 0.37
IDO1 P14902 2/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
TTR P02766 1/20 0.37
APP P05067 1/20 0.37
ABCB1 P08183 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TYR P14679 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GPER1 Q99527 1/20 0.36
PTGES O14684 1/20 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
SCHEMBL1745234 1.00 CCR2 (0.42) CCR2PIN1SMN1; SMN2FFAR1IDO1
SCHEMBL4261410 0.88 CCR2 (0.42) CCR2PIN1SMN1; SMN2FFAR1IDO1
SCHEMBL4261413 0.88 CCR2 (0.42) CCR2PIN1SMN1; SMN2FFAR1IDO1
SCHEMBL1745236 0.79 AKR1C3 (0.40) PIN1FFAR1IDO1TUBB1GFRA2
SCHEMBL1744713 0.76 PIN1 (0.40) PIN1SMN1; SMN2FFAR1IDO1KDM4E
SCHEMBL12320178 0.76 IDO1 (0.51) PIN1FFAR1IDO1
SCHEMBL1745233 0.75 FFAR1 (0.40) PIN1FFAR1IDO1GFRA2GFRA3
SCHEMBL1746749 0.73 IDO1 (0.49) PIN1FFAR1IDO1
SCHEMBL1746491 0.72 FFAR1 (0.43) PIN1FFAR1IDO1
SCHEMBL2439707 0.71 CA12 (0.53) SMN1; SMN2KDM4EKMT2ATTRAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-8008525-B2 For the 14273 peroxisome proliferator activated receptor; antidiabetic agents, hyperlipidemia, obesity or anorexia; receptor binding assay; drug screening kits TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-30 US disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed