SCHEMBL7222

SCHEMBL7222

CCN(c1ccc2ccccc2c1)c1c(C)noc1-c1ccc(-c2ccc(C3(CC(=O)O)CC3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC3 O15438 1/20 0.34
ABCC4 O15439 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
ABCB4 P21439 1/20 0.34
LPAR1 Q92633 1/20 0.34
ABCC2 Q92887 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
ALDH1A1 P00352 3/20 0.34
IP6K1 Q92551 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
BRD4 O60885 1/20 0.33
OPRM1 P35372 1/20 0.32
TSHR P16473 1/20 0.32
IP6K3 Q96PC2 1/20 0.32
IP6K2 Q9UHH9 1/20 0.32
SLC6A4 P31645 2/20 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
SCHEMBL6641 0.91 GAA (0.37) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL6411 0.84 BRD4 (0.33) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL4790 0.84 BRD4 (0.34) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL4089 0.76 BRD4 (0.39) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL14603 0.75 LPAR1 (0.47) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL7223 0.75 LPAR1 (0.41) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL7234 0.73 LPAR1 (0.34) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL7534 0.72 L3MBTL1 (0.34) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL7008 0.72 LPAR1 (0.45) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL4734 0.71 ABCC3 (0.37) ABCC3ABCC4ABCB11CYP2C8CYP2C9

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