SCHEMBL7026

SCHEMBL7026

COc1ccc(CCN(C)c2c(C)noc2-c2ccc(-c3ccc(C4(CC(=O)O)CC4)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.37
SLC6A9 P48067 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
BACE1 P56817 1/20 0.34
CHRM5 P08912 5/20 0.34
CHRM1 P11229 5/20 0.34
CHRM3 P20309 5/20 0.34
P2RX3 P56373 1/20 0.34
NPC1 O15118 1/20 0.34
HSD11B1 P28845 1/20 0.33
ALOX5 P09917 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL6613 0.95 FFAR4 (0.35) AOC3SLC6A9MEN1KMT2APOLB
SCHEMBL6973 0.91 BRD4 (0.36) AOC3SLC6A9MEN1KMT2APOLB
SCHEMBL7666 0.88 ABCC3 (0.44) AOC3SLC6A9MEN1KMT2APOLB
SCHEMBL7532 0.86 ALOX5 (0.35) AOC3SLC6A9MEN1KMT2APOLB
SCHEMBL4147 0.86 PPARD (0.43) FFAR4
SCHEMBL7201 0.84 CHRM1 (0.42) AOC3SLC6A9MEN1KMT2APOLB
SCHEMBL7148 0.84 ALDH1A1 (0.38) AOC3MEN1KMT2ALMNACHRM1
SCHEMBL1127 0.82 LPAR1 (0.43) AOC3SLC6A9MEN1KMT2APOLB
SCHEMBL7534 0.82 L3MBTL1 (0.34) HSD11B1L3MBTL1
SCHEMBL7442 0.81 LMNA (0.36) SLC6A9MEN1KMT2ALMNAATM

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