Sugi Predict

Sugi Predict / Compounds / SCHEMBL4012807

SCHEMBL4012807

SCHEMBL4012807

CCCCC1=NC(C)N(c2ccc(OCC)cc2)C=C1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC33A1 O00400 11/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ LTB4R2 Q9NPC1 1/20 0.43
▸ PPARG P37231 2/20 0.43

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
SCHEMBL4011145 0.93 SLC33A1 (0.46) SLC33A1PPARG
SCHEMBL4010723 0.91 SLC33A1 (0.43) SLC33A1PPARG
SCHEMBL4016065 0.90 SLC33A1 (0.47) SLC33A1PPARG
SCHEMBL4312502 0.87 SLC33A1 (0.44) SLC33A1PPARG
SCHEMBL4016690 0.87 PPARG (0.46) SLC33A1PPARG
SCHEMBL4017558 0.87 SLC33A1 (0.44) SLC33A1LTB4R2PPARG
SCHEMBL4016519 0.87 SLC33A1 (0.47) SLC33A1
SCHEMBL4013363 0.86 SLC33A1 (0.46) SLC33A1
SCHEMBL4010905 0.85 SLC33A1 (0.44) SLC33A1PPARG
SCHEMBL4013006 0.84 PPARG (0.44) 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