SCHEMBL3409191

SCHEMBL3409191

CSc1ccc(-c2cc(Cl)cc(CC(=O)O)c2CNCCC(=O)C2CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
S1PR5 Q9H228 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
JAK1 P23458 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30
NPC1 O15118 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL3409188 0.76 PTGDR2 (0.48) PTGDR2
SCHEMBL3952944 0.70 FFAR1 (0.43) MAPTPTGDR2FFAR1FFAR4SMN1; SMN2
SCHEMBL3426364 0.67 KMT2A (0.38) S1PR5PTGDR2KMT2AALDH1A1CD274
SCHEMBL149825 0.62 AKR1C3 (0.41) PTGDR2KMT2ATRPV1PTGS1PTGS2
SCHEMBL9747690 0.61 ABCB11 (0.45) PTGS1PTGS2
SCHEMBL11758496 0.60 AGBL2 (0.55) PTGDR2HPGD
SCHEMBL8109524 0.58 HAO1 (0.54) DRD2DRD4SIGMAR1HPGDSMN1; SMN2
SCHEMBL10711137 0.57 PTGS1 (0.40) PTGDR2HPGDSUCNR1PTGS1PTGS2
SCHEMBL3745897 0.57 KEAP1 (0.47) MAPTPTGDR2DRD2MEN1KMT2A
SCHEMBL11703057 0.56 FFAR1 (0.42) MEN1KMT2AFFAR1FFAR4HPGD

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-2257524-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP claimed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO claimed