SCHEMBL9899393

SCHEMBL9899393

O=C(Nc1ccncc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)OCCc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.40
LPAR3 Q9UBY5 4/20 0.40
MAP4K4 O95819 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
ROCK2 O75116 1/20 0.35
P2RX7 Q99572 1/20 0.35
CHRM3 P20309 1/20 0.35
ABCC3 O15438 1/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
ABCB4 P21439 1/20 0.35
ABCC2 Q92887 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
HIF1A Q16665 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
SCHEMBL9900135 0.84 BCL6 (0.39) BCHEACHEP2RX7CHRM3
SCHEMBL9899814 0.81 ROCK2 (0.45) LPAR1LPAR3BCHEACHEROCK2
SCHEMBL9915911 0.80 LPAR1 (0.55) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL9899749 0.79 SLC22A12 (0.42) BCHEACHECHRM3
SCHEMBL9905623 0.77 MGLL (0.50) LPAR1LPAR3ROCK2CHRM3
SCHEMBL1247179 0.76 SCN9A (0.55) LPAR1LPAR3NR1H4ABCC3ABCC4
SCHEMBL14711424 0.76 LPAR1 (0.67) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL28536609 0.76 LPAR1 (0.46) LPAR1LPAR3
SCHEMBL2636040 0.76 LPAR1 (0.63) LPAR1LPAR3NR1H4ABCC3ABCC4
SCHEMBL9899562 0.75 BCHE (0.55) BCHEACHEP2RX7

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-2648714-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-10-16 EP claimed
WO-2012078593-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO claimed
EP-2648714-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-10-16 EP disclosed
WO-2012078593-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO disclosed