SCHEMBL7009

SCHEMBL7009

Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NCCc1cc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.52
ABCC3 O15438 1/20 0.52
ABCC4 O15439 1/20 0.52
ABCB11 O95342 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2C9 P11712 1/20 0.52
ABCB4 P21439 1/20 0.52
ABCC2 Q92887 1/20 0.52
SLCO1B3 Q9NPD5 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LPAR3 Q9UBY5 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TAS2R8 Q9NYW2 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6412 0.88 LPAR1 (0.40) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14713 0.82 LPAR1 (0.57) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1619 0.81 LPAR1 (0.58) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7303 0.80 CYP2A6 (0.38) LPAR1MAPTKDM4ELPAR3SMN1; SMN2
SCHEMBL7139 0.78 LPAR1 (0.55) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1547 0.78 LPAR1 (0.66) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7008 0.77 LPAR1 (0.45) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL3807 0.76 LPAR1 (0.54) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL11148 0.76 LPAR1 (0.54) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL3633 0.75 LPAR1 (0.64) 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 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 claimed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO claimed