SCHEMBL3702406

SCHEMBL3702406

CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3N(C(=O)OCC)c3cccc(Br)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MAPK1 P28482 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HPGD P15428 2/20 0.36
LPAR1 Q92633 2/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX15 P16050 2/20 0.36
HTT P42858 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC26A6 Q9BXS9 1/20 0.36
CACNA1F O60840 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL2338529 0.93 LPAR1 (0.44) ALDH1A1LPAR1MAPTKDM4EHTT
SCHEMBL2337280 0.92 ALDH1A1 (0.36) ALDH1A1L3MBTL1HPGDLPAR1MAPT
SCHEMBL3705980 0.90 ALDH1A1 (0.37) ALDH1A1L3MBTL1LPAR1MAPTKDM4E
SCHEMBL2335059 0.89 LPAR1 (0.41) ALDH1A1MAPK1L3MBTL1LPAR1MAPT
SCHEMBL2337994 0.87 HDAC6 (0.43) MAPTSYK
SCHEMBL2334158 0.84 SMN1; SMN2 (0.40) MAPK1L3MBTL1LPAR1MAPTSMN1; SMN2
SCHEMBL2335503 0.84 LPAR1 (0.44) ALDH1A1HPGDLPAR1MAPTKDM4E
SCHEMBL2635955 0.83 ABCC3 (0.39) LPAR1TDP1LMNACACNA1FABCB1
SCHEMBL2336265 0.83 LPAR1 (0.41) ALDH1A1L3MBTL1HPGDLPAR1MAPT
SCHEMBL3706822 0.83 ALDH1A1 (0.37) ALDH1A1L3MBTL1LPAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed