SCHEMBL3936773

SCHEMBL3936773

Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(CC(=O)O)ccc3OCc3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.60
ALDH1A1 P00352 5/20 0.49
GAA P10253 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 3/20 0.47
STAT3 P40763 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
PPARD Q03181 1/20 0.45

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
SCHEMBL3931978 0.93 MEN1 (0.54) PTGDR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3933440 0.92 PTGDR2 (0.54) PTGDR2ALDH1A1GAACYP3A4CYP2D6
SCHEMBL3928769 0.91 PTGDR2 (0.61) PTGDR2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3932364 0.90 PTGDR2 (0.55) PTGDR2ALDH1A1GAACYP3A4CYP2D6
SCHEMBL3929213 0.89 MEN1 (0.50) PTGDR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3937820 0.89 PTGDR2 (0.58) PTGDR2ALDH1A1GAAMEN1KMT2A
SCHEMBL3928709 0.88 TP53 (0.55) PTGDR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3931983 0.86 MEN1 (0.48) PTGDR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3932032 0.86 ALDH1A1 (0.49) PTGDR2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3937365 0.86 PTGDR2 (0.53) PTGDR2ALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101490024-A Substituted phenylacetic acids as DP-2 antagonists ICOS CORP (US) 2009-07-22 CN claimed
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
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO disclosed