SCHEMBL3703083

SCHEMBL3703083

Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cn3)cn2)c1NC(=O)OCCc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.47
LPAR3 Q9UBY5 3/20 0.46
LPAR2 Q9HBW0 2/20 0.46
WNT3A P56704 5/20 0.35
HIF1A Q16665 1/20 0.34
ROCK2 O75116 1/20 0.34
HDAC1 Q13547 1/20 0.34
ABCC3 O15438 1/20 0.34
ABCC4 O15439 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
ABCB4 P21439 1/20 0.34
ABCC2 Q92887 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
FFAR1 O14842 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
SCHEMBL3705536 0.94 LPAR1 (0.51) LPAR1LPAR3LPAR2WNT3AHIF1A
SCHEMBL3705461 0.93 LPAR1 (0.40) LPAR1LPAR3LPAR2WNT3AHIF1A
SCHEMBL2335542 0.87 LPAR1 (0.61) LPAR1LPAR3LPAR2ROCK2ABCC3
SCHEMBL3710547 0.86 LPAR1 (0.57) LPAR1LPAR3LPAR2WNT3AROCK2
SCHEMBL3712501 0.86 LPAR1 (0.59) LPAR1LPAR3LPAR2HIF1AROCK2
SCHEMBL3712525 0.86 LPAR1 (0.57) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL3704739 0.86 LPAR1 (0.42) LPAR1LPAR3LPAR2HIF1AABCC3
SCHEMBL3714425 0.85 LPAR1 (0.48) LPAR1LPAR3LPAR2HIF1AABCC3
SCHEMBL3709662 0.85 LPAR1 (0.56) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL3708426 0.84 LPAR1 (0.50) LPAR1LPAR3LPAR2WNT3AABCC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed