SCHEMBL6601

SCHEMBL6601

CCN(C(=O)Cc1c(C)noc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.48
ABCC3 O15438 1/20 0.48
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
ABCB4 P21439 1/20 0.48
ABCC2 Q92887 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
TSHR P16473 2/20 0.41
TAS2R8 Q9NYW2 2/20 0.41
TP53 P04637 2/20 0.38
SLC6A9 P48067 1/20 0.37
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 3/20 0.34
GLA P06280 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
SCHEMBL6649 0.92 ABCC3 (0.42) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6288 0.91 ABCC3 (0.47) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6506 0.86 LPAR1 (0.48) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6286 0.83 LPAR1 (0.52) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7338 0.83 ABCC3 (0.41) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7680 0.82 LPAR1 (0.49) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7468 0.81 LPAR1 (0.47) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7339 0.81 LPAR1 (0.45) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL5867 0.81 SLCO1B1 (0.41) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6149 0.81 LPAR1 (0.48) 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