SCHEMBL6613

SCHEMBL6613

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.35
SLC6A9 P48067 1/20 0.35
ALOX5 P09917 2/20 0.35
POLB P06746 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LPAR1 Q92633 1/20 0.34
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
BACE1 P56817 1/20 0.33
AOC3 Q16853 1/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
P2RX3 P56373 1/20 0.33
HSD11B1 P28845 1/20 0.32

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
SCHEMBL7026 0.95 AOC3 (0.37) FFAR4SLC6A9ALOX5POLBMEN1
SCHEMBL7532 0.91 ALOX5 (0.35) SLC6A9ALOX5POLBMEN1KMT2A
SCHEMBL7148 0.90 ALDH1A1 (0.38) FFAR4ALOX5MEN1KMT2ALPAR1
SCHEMBL1127 0.88 LPAR1 (0.43) FFAR4SLC6A9ALOX5POLBMEN1
SCHEMBL6973 0.86 BRD4 (0.36) SLC6A9ALOX5POLBMEN1KMT2A
SCHEMBL1800 0.85 CHRM1 (0.41) SLC6A9ALOX5POLBMEN1KMT2A
SCHEMBL7534 0.84 L3MBTL1 (0.34) LPAR1HSD11B1
SCHEMBL7297 0.83 SCD5 (0.35) ALOX5KMT2ALPAR1LMNACHRM5
SCHEMBL6150 0.83 BRD4 (0.36) FFAR4AOC3HSD11B1
SCHEMBL7666 0.82 ABCC3 (0.44) SLC6A9ALOX5POLBMEN1KMT2A

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