SCHEMBL3930615

SCHEMBL3930615

COC(=O)Cc1cccc(C2CCCN(S(=O)(=O)c3cccc4ccccc34)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BCL9 O00512 2/20 0.45
CTNNB1 P35222 2/20 0.45
NPY5R Q15761 1/20 0.44
EPHX2 P34913 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL3935500 0.89 BCL9 (0.46) MEN1KMT2ABCL9CTNNB1EPHX2
SCHEMBL3932402 0.89 CNR1 (0.52) CNR1MEN1KMT2ABCL9CTNNB1
SCHEMBL3935774 0.88 ATM (0.46) BCL9CTNNB1HDAC3HDAC4HDAC1
SCHEMBL3936240 0.85 TSHR (0.46) KMT2ABCL9CTNNB1POLBKDM4E
SCHEMBL3943769 0.83 DRD2 (0.45) MEN1KMT2ABCL9CTNNB1KDM4E
SCHEMBL3941053 0.83 BCL9 (0.41) MEN1KMT2ABCL9CTNNB1ALDH1A1
SCHEMBL3936109 0.83 ATM (0.47) BCL9CTNNB1POLBTSHRHTT
SCHEMBL3941453 0.82 BCL9 (0.47) MEN1KMT2ABCL9CTNNB1ALDH1A1
SCHEMBL3940272 0.82 ALDH1A1 (0.50) MEN1KMT2ABCL9CTNNB1POLB
SCHEMBL3933930 0.82 CYP19A1 (0.46) BCL9CTNNB1EPHX2POLB

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