SCHEMBL3933335

SCHEMBL3933335

O=C(O)Cc1cccc(C2CCCN(S(=O)(=O)c3ccccc3)C2I)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.41
RAB9A P51151 1/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
PKM P14618 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3930700 0.80 TRPA1 (0.46) FKBP1APTGDR2TSHRALDH1A1
SCHEMBL3941700 0.76 BCL9 (0.54) PTGDR2ALDH1A1SMN1; SMN2CYP2C19
SCHEMBL3928274 0.74 TRPA1 (0.57) FKBP1ATSHRALDH1A1SMN1; SMN2CYP3A4
SCHEMBL3932070 0.71 ALDH1A1 (0.50) PTGDR2TSHRALDH1A1SMN1; SMN2PKM
SCHEMBL3931870 0.70 PTGDR2 (0.49) PTGDR2TSHRALDH1A1PKMCYP3A4
SCHEMBL13570535 0.69 FKBP1A (0.62) FKBP1ATSHRALDH1A1MMP2MMP9
SCHEMBL13570536 0.69 FKBP1A (0.62) FKBP1ATSHRALDH1A1MMP2MMP9
SCHEMBL3933560 0.69 THRB (0.44) TSHRALDH1A1SMN1; SMN2HCRTR1HCRTR2
SCHEMBL3929084 0.69 MAPT (0.55) PTGDR2TSHRALDH1A1SMN1; SMN2HCRTR1
SCHEMBL3941517 0.69 MAPT (0.55) PTGDR2TSHRALDH1A1SMN1; SMN2HCRTR1

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-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