SCHEMBL6955

SCHEMBL6955

CCOC(=O)CC1(c2ccc(-c3ccc(-c4onc(C)c4CCC/C=C(/O)c4ccc(Cl)c(Cl)c4)cc3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.35
ALOX15 P16050 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
CRHR2 Q13324 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33
BRD4 O60885 1/20 0.32
OPRM1 P35372 1/20 0.31
HDAC1 Q13547 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SLC6A9 P48067 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4475 0.89 GAA (0.39) FFAR4L3MBTL1GAABRD4HDAC1
SCHEMBL6504 0.85 GAA (0.40) FFAR4L3MBTL1GAABRD4HDAC1
SCHEMBL7143 0.76 LPAR1 (0.41) FFAR4L3MBTL1GAABRD4HDAC1
SCHEMBL6482 0.75 LPAR1 (0.41) FFAR4L3MBTL1GAABRD4HDAC1
SCHEMBL6683 0.74 ALOX15 (0.36) ALOX15CRHBPHTTCRHR2L3MBTL1
SCHEMBL6591 0.74 GAA (0.42) FFAR4L3MBTL1GAABRD4HDAC1
SCHEMBL6954 0.73 BRD4 (0.33) ALOX15CRHBPHTTCRHR2L3MBTL1
SCHEMBL13720108 0.73 BRD4 (0.33) ALOX15CRHBPHTTCRHR2L3MBTL1
SCHEMBL6723 0.73 FFAR4 (0.36) FFAR4ALOX15CRHBPHTTCRHR2
SCHEMBL18746109 0.72 GAA (0.40) FFAR4L3MBTL1GAABRD4SMN1; SMN2

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