SCHEMBL7684624

SCHEMBL7684624

O=Cc1cc(Br)ccc1N(C=O)CCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.45
ERN1 O75460 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
KMO O15229 1/20 0.34
CYP2A6 P11509 2/20 0.33
APEX1 P27695 1/20 0.33
TBXAS1 P24557 1/20 0.33

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
SCHEMBL7541400 0.85 PTGDR2 (0.46) PTGDR2ERN1KMT2AMEN1HTT
SCHEMBL5204160 0.84 ALDH1A1 (0.42) PTGDR2ERN1KMT2AMEN1HTT
SCHEMBL7541512 0.83 PTGDR2 (0.42) PTGDR2ERN1KMT2AMEN1HTT
SCHEMBL6350449 0.83 ALDH3A1 (0.46) PTGDR2ERN1KMT2AMEN1HTT
SCHEMBL5549984 0.81 PTGDR2 (0.45) PTGDR2ERN1KMT2AMEN1HTT
SCHEMBL6343551 0.81 PTGDR2 (0.42) PTGDR2ERN1KMT2AMEN1HTT
SCHEMBL5551206 0.80 PTGDR2 (0.44) PTGDR2ERN1KMT2AMEN1HTT
SCHEMBL7544691 0.80 PTGDR2 (0.41) PTGDR2ERN1KMT2AMEN1HTT
SCHEMBL3458716 0.80 ALDH1A1 (0.45) PTGDR2ERN1KMT2AMEN1HTT
SCHEMBL6517350 0.79 PTGDR2 (0.40) PTGDR2ERN1KMT2AMEN1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed