Sugi Predict

Sugi Predict / Compounds / SCHEMBL7598607

SCHEMBL7598607

SCHEMBL7598607

CCC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Ti](C)(C)C(C)(C)[Ti](C)(C)C1C(CC)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.31
▸ PPARA Q07869 3/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HTR7 P34969 1/20 0.30

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
SCHEMBL7599727 0.84 PTPN1 (0.33) PPARGPPARAPTPN1
SCHEMBL797233 0.83 ALOX15 (0.32) ALOX15
SCHEMBL5859330 0.78 SLC6A4 (0.34) PTPN1ALOX15HTR7
SCHEMBL27559648 0.77 SLC6A4 (0.33) PTPN1ALOX15HTR7
SCHEMBL4622630 0.77 SLC6A4 (0.34) PTPN1ALOX15HTR7
SCHEMBL8613248 0.77 SLC6A4 (0.34) PTPN1ALOX15HTR7
SCHEMBL7607488 0.76 PPARG (0.31) PPARGPPARAHTR7
Hydrochloric Acid SCHEMBL4065888 0.76 HTR7 (0.35) PTPN1ALOX15HTR7
Hydrochloric Acid SCHEMBL2522717 0.74 HTR7 (0.33) PPARGPPARAPTPN1ALOX15HTR7
SCHEMBL5836023 0.74 ALOX15 (0.35) ALOX15HTR7

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
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 — — US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 — — US disclosed