SCHEMBL3928668

SCHEMBL3928668

CC(C)Oc1ccc(CC(=O)O)cc1CN1CCS(=O)(=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
PKM P14618 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
PTGDR2 Q9Y5Y4 6/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 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
SCHEMBL14367071 0.87 ALDH1A1 (0.54) ALDH1A1PKMMEN1KMT2APTGDR2
SCHEMBL3933704 0.85 NPSR1 (0.47) ALDH1A1PKMMEN1KMT2ARAB9A
SCHEMBL14367624 0.84 ALDH1A1 (0.44) ALDH1A1PKMMEN1KMT2ARAB9A
SCHEMBL4012562 0.79 CCR5 (0.56) PTGDR2
SCHEMBL14367500 0.79 HRH3 (0.44) PTGDR2FFAR4FFAR1
SCHEMBL3928669 0.74 RXRA (0.44) ALDH1A1RXRARXRBRXRGPTGDR2
SCHEMBL11577822 0.73 RXRA (0.58) ALDH1A1RXRARXRBRXRGMAPT
SCHEMBL14367628 0.73 MAPK14 (0.42) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL14367070 0.71 ALDH1A1 (0.49) ALDH1A1PKMMEN1KMT2ARAB9A
SCHEMBL3937875 0.70 NPSR1 (0.48) ALDH1A1PKMMEN1KMT2APTGDR2

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