Sugi Predict

Sugi Predict / Compounds / SCHEMBL4016690

SCHEMBL4016690

SCHEMBL4016690

CCCCC1=NC(C)N(c2ccc(C)c(C)c2)C=C1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 12/20 0.46
▸ SLC33A1 O00400 1/20 0.45
▸ AGTR1 P30556 2/20 0.44

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
SCHEMBL4017558 0.89 SLC33A1 (0.44) PPARGSLC33A1
SCHEMBL4010905 0.88 SLC33A1 (0.44) PPARGSLC33A1AGTR1
SCHEMBL4312502 0.88 SLC33A1 (0.44) PPARGSLC33A1AGTR1
SCHEMBL4011145 0.88 SLC33A1 (0.46) PPARGSLC33A1
SCHEMBL4013006 0.87 PPARG (0.44) PPARGSLC33A1
SCHEMBL4010723 0.87 SLC33A1 (0.43) PPARGSLC33A1
SCHEMBL4012807 0.87 SLC33A1 (0.46) PPARGSLC33A1
SCHEMBL4309643 0.87 PPARG (0.46) PPARGSLC33A1AGTR1
SCHEMBL4302458 0.82 LTB4R2 (0.49) PPARGSLC33A1AGTR1
SCHEMBL4012172 0.81 SLC33A1 (0.44) PPARGSLC33A1

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