SCHEMBL3933704

SCHEMBL3933704

CC(C)CCOc1ccc(CC(=O)O)cc1CN1CCS(=O)(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 3/20 0.43
PKM P14618 3/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
PTGDR2 Q9Y5Y4 7/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CXCR3 P49682 2/20 0.38
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL14367071 0.89 ALDH1A1 (0.54) ALDH1A1PKMMAPTTSHRHTT
SCHEMBL3937875 0.86 NPSR1 (0.48) NPSR1ALDH1A1PKMMAPTTSHR
SCHEMBL3928668 0.85 ALDH1A1 (0.53) ALDH1A1PKMMAPTTSHRHTT
SCHEMBL14367624 0.84 ALDH1A1 (0.44) ALDH1A1PKMMAPTTSHRHTT
SCHEMBL4012562 0.80 CCR5 (0.56) PTGDR2
SCHEMBL14367500 0.80 HRH3 (0.44) S1PR5PTGDR2
SCHEMBL3928450 0.80 FAAH (0.56)
SCHEMBL3926126 0.79 PTGDR2 (0.49) ALDH1A1PKMMAPTHTTTHRB
SCHEMBL3929765 0.78 NPSR1 (0.46) NPSR1ALDH1A1PKMMAPTTSHR
SCHEMBL3929761 0.76 NPSR1 (0.47) NPSR1ALDH1A1PKMMAPTTSHR

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-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