SCHEMBL1745236

SCHEMBL1745236

CC(=Cc1cc(F)c(OC2CCc3ccccc32)c(F)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.40
FFAR1 O14842 8/20 0.40
PIN1 Q13526 2/20 0.39
IDO1 P14902 2/20 0.38
APEX1 P27695 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
CHRM4 P08173 2/20 0.35
DRD2 P14416 2/20 0.35
HTR7 P34969 2/20 0.35
HSD11B1 P28845 1/20 0.35
GFRA2 O00451 1/20 0.35
GFRA3 O60609 1/20 0.35

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
SCHEMBL4261410 0.82 CCR2 (0.42) FFAR1PIN1IDO1
SCHEMBL4261413 0.82 CCR2 (0.42) FFAR1PIN1IDO1
SCHEMBL1745233 0.80 FFAR1 (0.40) FFAR1PIN1IDO1CHRM4DRD2
SCHEMBL1745234 0.79 CCR2 (0.42) FFAR1PIN1IDO1TUBB1GFRA2
SCHEMBL1745230 0.79 CCR2 (0.42) FFAR1PIN1IDO1TUBB1GFRA2
SCHEMBL1746749 0.77 IDO1 (0.49) FFAR1PIN1IDO1
SCHEMBL12320178 0.76 IDO1 (0.51) FFAR1PIN1IDO1
SCHEMBL1746491 0.75 FFAR1 (0.43) FFAR1PIN1IDO1
SCHEMBL1744713 0.72 PIN1 (0.40) FFAR1PIN1IDO1GFRA2GFRA3
SCHEMBL2565952 0.72 AKR1C3 (0.53) AKR1C3APEX1TUBB1

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