SCHEMBL7443

SCHEMBL7443

COc1ccc(C(O)CCc2c(C)noc2-c2ccc(-c3ccc(C4(CC(=O)O)CC4)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.40
LPAR1 Q92633 2/20 0.36
ABCC3 O15438 1/20 0.36
ABCC4 O15439 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
ABCB4 P21439 1/20 0.36
ABCC2 Q92887 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
HTR1A P08908 1/20 0.35
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
FFAR1 O14842 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 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
SCHEMBL7153 0.91 SLC6A9 (0.37) SLC6A9LPAR1ABCC3ABCC4ABCB11
SCHEMBL3972 0.88 LPAR1 (0.38) SLC6A9LPAR1ABCC3ABCC4ABCB11
SCHEMBL6861 0.86 LPAR1 (0.42) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7311 0.85 LPAR1 (0.41) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7442 0.84 LMNA (0.36) SLC6A9LPAR1ABCC3ABCC4ABCB11
SCHEMBL3678 0.83 LPAR1 (0.37) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6723 0.81 FFAR4 (0.36) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL4535 0.80 GAA (0.37) SLC6A9LPAR1ABCC3ABCC4ABCB11
SCHEMBL7143 0.79 LPAR1 (0.41) SLC6A9LPAR1ABCC3ABCC4ABCB11
SCHEMBL6482 0.78 LPAR1 (0.41) SLC6A9LPAR1ABCC3ABCC4ABCB11

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