SCHEMBL7266

SCHEMBL7266

Cc1noc(-c2ccc(-c3ccc(C4(CC(=O)O)CC4)cc3)cc2)c1CCC(C)(CO)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.35
ABCC3 O15438 1/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
ABCB4 P21439 1/20 0.35
ABCC2 Q92887 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
HDAC1 Q13547 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
SLC6A9 P48067 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
BRD4 O60885 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
SCHEMBL7103 0.91 GAA (0.39) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6861 0.79 LPAR1 (0.42) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7128 0.78 HSD11B1 (0.35) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7311 0.78 LPAR1 (0.41) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6565 0.77 MMP12 (0.38) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6633 0.76 LPAR1 (0.37) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6531 0.76 LPAR1 (0.37) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7265 0.75 LPAR1 (0.39) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6977 0.74 LPAR1 (0.41) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL3678 0.74 LPAR1 (0.37) LPAR1ABCC3ABCC4ABCB11CYP2C8

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 4 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 claimed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO claimed
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