SCHEMBL4010965

SCHEMBL4010965

COC(=O)Cc1cccc(-c2cc[nH]c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.47
SYK P43405 1/20 0.45
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
CFD P00746 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 2/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
HSP90AB1 P08238 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
DHODH Q02127 1/20 0.41

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
SCHEMBL1929079 0.82 SLC7A5 (0.57) SLC7A5SYKHPGDTSHRCFD
SCHEMBL7031797 0.80 SLC7A5 (0.52) SLC7A5SYKHPGDTSHRCFD
SCHEMBL3357160 0.80 SLC7A5 (0.56) SLC7A5SYKHPGDTSHRCFD
SCHEMBL13791195 0.79 HSP90AB1 (0.54) SLC7A5SYKHPGDTSHRCFD
SCHEMBL14759025 0.78 CYP11B1 (0.54) SLC7A5SYKHPGDTSHRCFD
SCHEMBL13433607 0.78 HSP90AB1 (0.53) SLC7A5SYKHPGDCFDNPC1
SCHEMBL12400239 0.78 SLC7A5 (0.68) SLC7A5HPGDTSHRMAPTNPC1
SCHEMBL3930520 0.77 PRKCI (0.57) SLC7A5SYKHPGDNPC1PKM
SCHEMBL10268966 0.77 SLC7A5 (0.49) SLC7A5SYKHPGDTSHRCFD
SCHEMBL1132657 0.77 SYK (0.49) SLC7A5SYKHPGDTSHRCFD

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-101490001-A Substituted phenylacetic acids as DP-2 antagonists ICOS CORP (US) 2009-07-22 CN disclosed
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
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed