SCHEMBL3936240

SCHEMBL3936240

COC(=O)Cc1cccc(C2CCCN(S(=O)(=O)c3cccc(Cl)c3Cl)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
HSD11B1 P28845 1/20 0.44
ATM Q13315 1/20 0.44
BCL9 O00512 6/20 0.43
CTNNB1 P35222 6/20 0.43
LMNA P02545 5/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
ACLY P53396 1/20 0.40

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
SCHEMBL3935774 0.94 ATM (0.46) TSHRHSD11B1ATMBCL9CTNNB1
SCHEMBL3934277 0.89 TSHR (0.49) TSHRHSD11B1ATMBCL9CTNNB1
SCHEMBL3936109 0.88 ATM (0.47) TSHRATMBCL9CTNNB1MAPT
SCHEMBL3935500 0.87 BCL9 (0.46) ATMBCL9CTNNB1LMNAKMT2A
SCHEMBL3936324 0.87 EPHX2 (0.45) TSHRATMBCL9CTNNB1LMNA
SCHEMBL3932848 0.85 BCL9 (0.47) ATMBCL9CTNNB1LMNAALDH1A1
SCHEMBL3930615 0.85 CNR1 (0.47) TSHRBCL9CTNNB1KMT2AALDH1A1
SCHEMBL3941279 0.85 BCL9 (0.46) TSHRATMBCL9CTNNB1KMT2A
SCHEMBL3941513 0.85 SMN1; SMN2 (0.48) BCL9CTNNB1LMNAKMT2AMAPT
SCHEMBL3942001 0.84 MAPT (0.49) TSHRATMBCL9CTNNB1LMNA

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