SCHEMBL4447825

SCHEMBL4447825

CC(C(=O)O)c1ccc2c(c1)Cc1ccccc1C(=O)O2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.63
ABCC4 O15439 1/20 0.63
PTGS2 P35354 5/20 0.52
OPRK1 P41145 1/20 0.52
PDE4D Q08499 1/20 0.52
AKR1B1 P15121 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
NPC1 O15118 1/20 0.46
PGR P06401 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
DRD1 P21728 1/20 0.46

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
SCHEMBL9420879 0.87 PTGS1 (0.69) PTGS1ABCC4PTGS2OPRK1PDE4D
Cicloprofen SCHEMBL30578072 0.82 PTGS2 (0.56) PTGS1ABCC4PTGS2OPRK1PDE4D
Cicloprofen SCHEMBL42839 0.82 PTGS2 (0.56) PTGS1ABCC4PTGS2OPRK1PDE4D
SCHEMBL10844042 0.80 ABCC4 (0.43) PTGS1ABCC4PTGS2OPRK1PDE4D
SCHEMBL12726876 0.79 AKR1B1 (0.54) PTGS1ABCC4PTGS2OPRK1PDE4D
SCHEMBL11477693 0.79 PTGS1 (0.58) PTGS1ABCC4PTGS2OPRK1PDE4D
SCHEMBL11339446 0.79 PTGS2 (0.54) PTGS1ABCC4PTGS2OPRK1PDE4D
Pranoprofen SCHEMBL5936565 0.78 PTGS1 (1.00) PTGS1ABCC4PTGS2OPRK1PDE4D
Pranoprofen SCHEMBL30509656 0.78 PTGS1 (1.00) PTGS1ABCC4PTGS2OPRK1PDE4D
Pranoprofen SCHEMBL26008 0.78 PTGS1 (1.00) PTGS1ABCC4PTGS2OPRK1PDE4D

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