SCHEMBL1880

SCHEMBL1880

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4CCCC(O)c4cccc(C(F)(F)F)c4)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.40
LPAR3 Q9UBY5 6/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCC3 O15438 1/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
ABCB4 P21439 1/20 0.39
ABCC2 Q92887 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
KCNA3 P22001 1/20 0.36
PNMT P11086 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL1309 0.90 LPAR1 (0.47) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL2380 0.90 ABCC3 (0.38) LPAR1LMNATSHRNPSR1TDP1
SCHEMBL7063 0.90 ABCC3 (0.42) LPAR1LMNATSHRNPSR1TDP1
SCHEMBL1841 0.88 ABCC3 (0.48) LPAR1LMNATSHRNPSR1TDP1
SCHEMBL1907 0.87 LPAR1 (0.47) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL1879 0.86 KMT2A (0.40) LPAR1LPAR3LMNATSHRNPSR1
SCHEMBL2627 0.85 LPAR1 (0.39) LPAR1LMNATSHRNPSR1TDP1
SCHEMBL7395 0.84 ABCC3 (0.41) LPAR1LMNATSHRNPSR1TDP1
SCHEMBL7054 0.83 ABCC3 (0.40) LPAR1LMNATSHRNPSR1TDP1
SCHEMBL2232 0.81 LMNA (0.39) LPAR1LPAR3LMNATSHRNPSR1

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 disclosed
EP-2483253-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
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed