SCHEMBL8174

SCHEMBL8174

CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3N(C)CCCc3cccc(F)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
LPAR1 Q92633 1/20 0.39
SLC26A6 Q9BXS9 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
SYK P43405 1/20 0.35
SCD5 Q86SK9 1/20 0.35
ALOX5 P09917 2/20 0.35
ALOX5AP P20292 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
SRC P12931 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
LMNA P02545 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HTT P42858 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
SCHEMBL7216 0.90 MAOB (0.41) MAOBLPAR1ALOX5LMNAHTT
SCHEMBL7466 0.89 LPAR1 (0.47) LPAR1CA12CA1CA2CA5A
SCHEMBL6630 0.89 HDAC1 (0.40) SYKLTB4R2
SCHEMBL7572 0.86 SLC26A6 (0.36) MAOBLPAR1SLC26A6SCD5ALOX5
SCHEMBL2284 0.85 NPSR1 (0.43) LPAR1SLC26A6SCD5LMNAHTT
SCHEMBL6543 0.82 HDAC1 (0.40) SYKALOX5LTB4R2
SCHEMBL2292 0.80 CYP2C9 (0.42) LPAR1SCD5ALOX5ALOX5APLMNA
SCHEMBL7297 0.79 SCD5 (0.35) LPAR1SLC26A6SCD5ALOX5ALOX5AP
SCHEMBL6857 0.79 LPAR1 (0.42) LPAR1LTB4R2TAAR1BRD4
SCHEMBL6811 0.78 HDAC1 (0.42) LPAR1

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