SCHEMBL4019549

SCHEMBL4019549

CC(C)(C)OC(=O)N1CCC=C(c2cccc(CC(=O)O)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
PDK4 Q16654 1/20 0.41
GPR119 Q8TDV5 2/20 0.39
DGAT2 Q96PD7 1/20 0.39
ESR2 Q92731 1/20 0.39
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 2/20 0.39
RXRA P19793 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
MYC P01106 1/20 0.39
STS P08842 1/20 0.39
MAPK1 P28482 1/20 0.38
USP30 Q70CQ3 2/20 0.38
ACHE P22303 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL4016687 0.89 GPR119 (0.40) PDK4GPR119DGAT2ESR2NR1H2
SCHEMBL22945388 0.85 USP30 (0.48) PDK4GPR119ESR2NR1H2NR1H3
SCHEMBL6352947 0.84 MAPK1 (0.49) PDK4GPR119ESR2NR1H2MAPK1
SCHEMBL31334489 0.82 USP30 (0.45) PDK4GPR119DGAT2ESR2NR1H2
SCHEMBL21425203 0.81 MAPK1 (0.41) PDK4GPR119DGAT2ESR2NR1H2
SCHEMBL22944628 0.81 NAMPT (0.48) PDK4GPR119ESR2NR1H2MAPK1
SCHEMBL21361618 0.81 MGAT2 (0.44) PDK4DGAT2ESR2NR1H2STS
SCHEMBL30952437 0.81 MGAT2 (0.44) PDK4DGAT2ESR2NR1H2STS
SCHEMBL31420092 0.77 CDK12 (0.45) GPR119DGAT2ACHE
SCHEMBL26986892 0.77 CDK12 (0.45) GPR119DGAT2ACHE

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
CN-101490001-A Substituted phenylacetic acids as DP-2 antagonists ICOS CORP (US) 2009-07-22 CN disclosed
EP-2044017-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed