SCHEMBL27768126

SCHEMBL27768126

C=CC(C=Cc1ccccc1)S(=O)(=O)N1CCCC(c2cccc(CC(=O)O)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.38
DRD2 P14416 5/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCL9 O00512 5/20 0.37
CTNNB1 P35222 5/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
DRD1 P21728 3/20 0.37
DRD4 P21917 3/20 0.37
DRD5 P21918 3/20 0.37
FKBP1A P62942 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
USP5 P45974 1/20 0.34

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
SCHEMBL27768051 0.91 BCL9 (0.39) DRD3DRD2NPC1MAPTHPGD
SCHEMBL27746990 0.84 ALDH1A1 (0.39) DRD3DRD2BCL9CTNNB1ALDH1A1
SCHEMBL3933452 0.83 FKBP1A (0.46) DRD3DRD2NPC1MAPTHPGD
SCHEMBL27768152 0.80 DRD3 (0.42) DRD3DRD2BCL9CTNNB1DRD1
SCHEMBL3941700 0.78 BCL9 (0.54) HPGDSMN1; SMN2BCL9CTNNB1ALDH1A1
SCHEMBL3933032 0.78 ALDH1A1 (0.54) MAPTHPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL27747181 0.78 ALDH1A1 (0.38) DRD3DRD2SMN1; SMN2BCL9CTNNB1
SCHEMBL3939587 0.77 DRD3 (0.47) DRD3DRD2BCL9CTNNB1ALDH1A1
1,2-Dichlorobenzene SCHEMBL27768082 0.76 ALDH1A1 (0.40) DRD3DRD2MAPTSMN1; SMN2BCL9
Fluorobenzene SCHEMBL27747102 0.76 TSHR (0.41) DRD3DRD2NPC1RAB9ABCL9

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
CN-101490001-A Substituted phenylacetic acids as DP-2 antagonists ICOS CORP (US) 2009-07-22 CN claimed
CN-101490001-A Substituted phenylacetic acids as DP-2 antagonists ICOS CORP (US) 2009-07-22 CN disclosed