SCHEMBL3940323

SCHEMBL3940323

O=C(O)Cc1cccc(C2CCCN(S(=O)(=O)c3cc4ccccc4o3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 5/20 0.42
CTNNB1 P35222 5/20 0.42
TRPA1 O75762 1/20 0.40
USP5 P45974 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AKR1C3 P42330 3/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3941053 0.89 BCL9 (0.41) BCL9CTNNB1TRPA1MEN1KMT2A
SCHEMBL3941700 0.83 BCL9 (0.54) BCL9CTNNB1USP5MEN1KMT2A
SCHEMBL3932402 0.82 CNR1 (0.52) BCL9CTNNB1MEN1KMT2A
SCHEMBL3938369 0.82 AKR1C3 (0.60) BCL9CTNNB1MEN1KMT2AAKR1C3
SCHEMBL3933032 0.79 ALDH1A1 (0.54) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL3936225 0.79 BCL9 (0.48) BCL9CTNNB1USP5MEN1KMT2A
SCHEMBL3941145 0.79 GAA (0.55) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL3935721 0.79 PTGDR2 (0.51) BCL9CTNNB1USP5AKR1C3POLB
SCHEMBL3939587 0.79 DRD3 (0.47) BCL9CTNNB1ALDH1A1POLBDRD2
SCHEMBL4110985 0.78 SMN1; SMN2 (0.48) BCL9CTNNB1USP5MEN1KMT2A

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 5 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 claimed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO claimed
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