SCHEMBL3935829

SCHEMBL3935829

COC(=O)Cc1cccc(C2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
USP2 O75604 1/20 0.52
ALDH1A1 P00352 4/20 0.52
HTT P42858 3/20 0.52
LMNA P02545 3/20 0.52
TP53 P04637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.51
BCL9 O00512 2/20 0.50
CTNNB1 P35222 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PKM P14618 1/20 0.50
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
USP5 P45974 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
SCHEMBL3940272 0.91 ALDH1A1 (0.50) ALDH1A1HTTLMNATSHRBCL9
SCHEMBL3941453 0.91 BCL9 (0.47) NPC1USP2ALDH1A1HTTLMNA
SCHEMBL3940596 0.91 MEN1 (0.53) NPC1USP2ALDH1A1HTTLMNA
SCHEMBL3941513 0.91 SMN1; SMN2 (0.48) USP2HTTLMNABCL9CTNNB1
SCHEMBL3933582 0.91 GAA (0.49) ALDH1A1HTTLMNATP53NPSR1
SCHEMBL3936472 0.91 TP53 (0.48) NPC1ALDH1A1HTTLMNATP53
SCHEMBL3928444 0.89 BCL9 (0.55) ALDH1A1LMNATP53BCL9CTNNB1
SCHEMBL3930533 0.88 BCL9 (0.50) ALDH1A1TSHRBCL9CTNNB1MEN1
SCHEMBL3939617 0.88 KMT2A (0.45) ALDH1A1LMNABCL9CTNNB1MEN1
SCHEMBL3932848 0.87 BCL9 (0.47) NPC1USP2ALDH1A1HTTLMNA

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