SCHEMBL1807

SCHEMBL1807

COc1ccc(C(CCO)c2c(C)noc2-c2ccc(Br)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ENPP2 Q13822 1/20 0.38
CYP17A1 P05093 1/20 0.36
PTGS2 P35354 1/20 0.36
BRD4 O60885 1/20 0.36
IGF1R P08069 1/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
SLC6A9 P48067 1/20 0.35
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
MCL1 Q07820 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
SCHEMBL1379 0.81 GAA (0.39) HTTTDP1L3MBTL1BRD4RAB9A
SCHEMBL14600 0.78 MEN1 (0.46) MEN1KMT2AHTTTDP1L3MBTL1
SCHEMBL2762258 0.74 TPH1 (0.44) MEN1KMT2AHTTTDP1L3MBTL1
SCHEMBL1476 0.74 LPAR1 (0.43) MEN1KMT2ATDP1L3MBTL1BRD4
SCHEMBL1464 0.73 GAA (0.38) TDP1L3MBTL1RAB9ANPSR1ALDH1A1
SCHEMBL6655 0.72 MEN1 (0.42) MEN1KMT2AHTTTDP1L3MBTL1
SCHEMBL7648 0.71 MEN1 (0.44) MEN1KMT2AHTTTDP1L3MBTL1
SCHEMBL3918 0.71 LMNA (0.47) HTTRAB9AHPGDANO1LMNA
SCHEMBL6665 0.70 MEN1 (0.45) MEN1KMT2AHTTTDP1L3MBTL1
SCHEMBL18597743 0.70 ALDH1A1 (0.38) MEN1KMT2AHTTTDP1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483253-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed