SCHEMBL3933089

SCHEMBL3933089

COC(=O)Cc1cccc(-c2cccnc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 1/20 0.60
MAPK1 P28482 1/20 0.60
EPHX2 P34913 1/20 0.58
PRMT6 Q96LA8 1/20 0.58
SYK P43405 1/20 0.53
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
CYP19A1 P11511 1/20 0.51
KMO O15229 1/20 0.50
HTT P42858 1/20 0.49
SLC2A1 P11166 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
SLC7A5 Q01650 1/20 0.47
KLKB1 P03952 1/20 0.47
KLK1 P06870 1/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47

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
SCHEMBL9709514 0.86 EPHX2 (0.52) ALDH1A1KDM4ENPC1MAPK1EPHX2
SCHEMBL3930520 0.85 PRKCI (0.57) ALDH1A1KDM4ENPC1MAPK1PRMT6
SCHEMBL12869883 0.85 KDM4E (0.59) ALDH1A1KDM4ENPC1MAPK1CYP11B1
SCHEMBL29466814 0.83 NAPRT (0.62) ALDH1A1KDM4ENPC1MAPK1CYP19A1
SCHEMBL178130 0.83 NAPRT (0.62) ALDH1A1KDM4ENPC1MAPK1CYP19A1
SCHEMBL3932055 0.82 ALDH1A1 (0.60) ALDH1A1KDM4ENPC1MAPK1CYP11B1
SCHEMBL3667115 0.82 CYP11B1 (0.54) ALDH1A1KDM4ENPC1MAPK1EPHX2
SCHEMBL3941960 0.82 NAPRT (0.67) ALDH1A1KDM4EEPHX2PRMT6SYK
SCHEMBL1929079 0.82 SLC7A5 (0.57) ALDH1A1KDM4ENPC1SYKSLC7A5
Ammonia Solution, Strong SCHEMBL27841922 0.82 NAPRT (0.61) ALDH1A1KDM4ENPC1MAPK1CYP19A1

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