SCHEMBL3932776

SCHEMBL3932776

CCC(C)COc1ccc(CC(=O)O)cc1C.O=S1(=O)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
FFAR4 Q5NUL3 8/20 0.37
SLC22A12 Q96S37 1/20 0.36
GAA P10253 2/20 0.36
FFAR1 O14842 5/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
KDM1A O60341 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL3933705 0.84 THRA (0.43) PTGDR2FFAR4SLC22A12GAAFFAR1
SCHEMBL3928669 0.84 RXRA (0.44) PTGDR2FFAR4SLC22A12GAAFFAR1
SCHEMBL14367624 0.76 ALDH1A1 (0.44) PTGDR2GAAALDH1A1TSHR
SCHEMBL8072295 0.68 THRB (0.54) PTGDR2SLC22A12GAAFFAR1RXRA
SCHEMBL8081319 0.67 FFAR1 (0.61) FFAR1ALDH1A1TSHRNFKB1TDP1
SCHEMBL14367071 0.66 ALDH1A1 (0.54) PTGDR2ALDH1A1TSHR
SCHEMBL969758 0.66 GAA (0.70) FFAR4SLC22A12GAAALDH1A1TSHR
SCHEMBL30094539 0.66 GAA (0.70) FFAR4SLC22A12GAAALDH1A1TSHR
SCHEMBL17316865 0.65 FFAR4 (0.51) FFAR4SLC22A12GAAFFAR1RXRA
SCHEMBL2793815 0.65 FFAR4 (0.74) FFAR4SLC22A12FFAR1RXRARXRB

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
EP-2044044-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO disclosed