SCHEMBL1680146

SCHEMBL1680146

Cc1noc(-c2ccc(-c3ccc(OC(=O)C4CC4)cc3)cc2)c1C(O)c1cncc(-c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.38
CREBBP Q92793 4/20 0.38
F11 P03951 2/20 0.38
ELANE P08246 2/20 0.37
LPAR1 Q92633 3/20 0.37
LPAR3 Q9UBY5 1/20 0.37
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
SLC6A9 P48067 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 3/20 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
SCHEMBL1680149 0.80 ELANE (0.39) BRD4CREBBPF11ELANELPAR1
SCHEMBL4498 0.80 LPAR1 (0.54) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4561 0.77 ABCC3 (0.46) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1680150 0.72 MAPT (0.37) LPAR1LPAR3KMT2AMEN1MAPT
SCHEMBL2999 0.71 LPAR1 (0.46) BRD4LPAR1LPAR3ABCC3ABCC4
SCHEMBL1830 0.70 SLC6A9 (0.40) ELANELPAR1LPAR3ABCC3ABCC4
SCHEMBL5316205 0.69 ELANE (0.70) ELANEKMT2AMEN1TDP1MAPT
SCHEMBL6863 0.69 SLC6A9 (0.43) ELANELPAR1LPAR3SLCO1B1SLC6A9
SCHEMBL28398519 0.69 LPAR1 (0.49) ELANELPAR1LPAR3ABCC3ABCC4
SCHEMBL3859 0.69 LPAR1 (0.51) BRD4LPAR1LPAR3ABCC3ABCC4

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-2483269-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP claimed
WO-2011041461-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO claimed