SCHEMBL7572

SCHEMBL7572

CCOC(=O)CC1(c2ccc(-c3ccc(-c4onc(C)c4N(C)CCCc4cccc(F)c4)cc3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A6 Q9BXS9 1/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
ALOX5 P09917 2/20 0.33
ALOX5AP P20292 1/20 0.33
OPRD1 P41143 1/20 0.33
GAA P10253 1/20 0.33
MAOB P27338 1/20 0.33
BRD4 O60885 2/20 0.32
SCD5 Q86SK9 1/20 0.32
LPAR1 Q92633 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRM4 P08173 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL6765 0.91 BRD4 (0.33) SLC26A6LMNAALOX5GAAMAOB
SCHEMBL7297 0.91 SCD5 (0.35) SLC26A6LMNANPSR1TSHRTDP1
SCHEMBL11897090 0.90 HDAC1 (0.36) LMNANPSR1TDP1SMN1; SMN2ALDH1A1
SCHEMBL2284 0.88 NPSR1 (0.43) SLC26A6LMNANPSR1TSHRTDP1
SCHEMBL6445 0.86 CHRM1 (0.36) SLC26A6LMNANPSR1TSHRPOLB
SCHEMBL8174 0.86 MAOB (0.41) SLC26A6LMNAHTTALOX5ALOX5AP
SCHEMBL7632 0.85 KMT2A (0.38) TSHRTDP1POLBHTTGAA
SCHEMBL7532 0.85 ALOX5 (0.35) LMNANPSR1TDP1POLBHTT
SCHEMBL2292 0.84 CYP2C9 (0.42) LMNANPSR1TSHRTDP1ALOX5
SCHEMBL6153 0.83 GAA (0.36) SLC26A6ALOX5ALOX5APGAABRD4

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