Sugi Predict

Sugi Predict / Compounds / SCHEMBL4010608

SCHEMBL4010608

SCHEMBL4010608

CCC1=NC(C)N(c2ccc(OC(C)C)cc2)C=C1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 2/20 0.45
▸ SLC33A1 O00400 13/20 0.43
▸ PPARG P37231 2/20 0.39

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
SCHEMBL4016519 0.94 SLC33A1 (0.47) AGTR1SLC33A1
SCHEMBL4013363 0.89 SLC33A1 (0.46) SLC33A1
SCHEMBL4012172 0.87 SLC33A1 (0.44) SLC33A1PPARG
SCHEMBL4008051 0.86 SLC33A1 (0.47) AGTR1SLC33A1
SCHEMBL4011145 0.85 SLC33A1 (0.46) SLC33A1PPARG
SCHEMBL4016610 0.85 SLC33A1 (0.46) AGTR1SLC33A1
SCHEMBL4012807 0.83 SLC33A1 (0.46) SLC33A1PPARG
SCHEMBL4010723 0.82 SLC33A1 (0.43) SLC33A1PPARG
SCHEMBL4010001 0.80 SLC33A1 (0.36) AGTR1SLC33A1
SCHEMBL4011825 0.80 SLC33A1 (0.45) SLC33A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 — — WO disclosed
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 — — EP disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 — — WO disclosed