Sugi Predict

Sugi Predict / Compounds / SCHEMBL3707320

SCHEMBL3707320

SCHEMBL3707320

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1cccc(-c2cc(CC(=O)O)cnc2OC)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 10/20 0.38
▸ PPARD Q03181 6/20 0.37
▸ MDM2 Q00987 3/20 0.36
▸ LPAR1 Q92633 1/20 0.34
▸ LPAR2 Q9HBW0 1/20 0.34
▸ LPAR3 Q9UBY5 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
SCHEMBL3706374 0.94 MDM2 (0.39) CTSAPPARDMDM2
SCHEMBL1247653 0.89 CTSA (0.38) CTSAPPARDMDM2
SCHEMBL3709239 0.88 PPARD (0.46) PPARDLPAR1LPAR2LPAR3
SCHEMBL3708660 0.86 LPAR1 (0.40) PPARDLPAR1LPAR2LPAR3
SCHEMBL3705512 0.86 LPAR1 (0.39) PPARDLPAR1LPAR2LPAR3
SCHEMBL3714465 0.86 LPAR1 (0.45) PPARDLPAR1LPAR2LPAR3
SCHEMBL3712288 0.85 PPARD (0.39) PPARDLPAR1LPAR2LPAR3
SCHEMBL3711037 0.85 PTGER1 (0.39) PPARDLPAR1LPAR2LPAR3
SCHEMBL2335497 0.82 LPAR1 (0.45) PPARDLPAR1LPAR2LPAR3
SCHEMBL2335596 0.82 DGAT1 (0.44) PPARDLPAR1LPAR2LPAR3

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