SCHEMBL6977

SCHEMBL6977

CC(=O)NC(CCCc1c(C)noc1-c1ccc(-c2ccc(C3(CC(=O)O)CC3)cc2)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.41
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
ABCB4 P21439 1/20 0.41
ABCC2 Q92887 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
FFAR4 Q5NUL3 1/20 0.35
LPAR3 Q9UBY5 1/20 0.34
HDAC1 Q13547 1/20 0.34
TSHR P16473 1/20 0.33
CCR5 P51681 4/20 0.33
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KCNH2 Q12809 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 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
SCHEMBL6514 0.91 LPAR1 (0.40) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6861 0.87 LPAR1 (0.42) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6976 0.85 LPAR1 (0.38) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7311 0.85 LPAR1 (0.41) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL3678 0.81 LPAR1 (0.37) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL3972 0.80 LPAR1 (0.38) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL10387 0.79 LPAR1 (0.47) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7143 0.78 LPAR1 (0.41) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL18597808 0.78 LPAR1 (0.39) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6513 0.77 GAA (0.39) 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