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Sugi Predict / Compounds / SCHEMBL6734358

SCHEMBL6734358

SCHEMBL6734358

CC(C)(C)c1cc(C=CC(=O)OCCCCOC(=O)C=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 2/20 0.57
▸ GABBR1 Q9UBS5 2/20 0.57
▸ APP P05067 7/20 0.52
▸ ALOX5 P09917 2/20 0.51
▸ MET P08581 3/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.48
▸ CYP3A4 P08684 1/20 0.46
▸ TNFRSF1A P19438 1/20 0.46

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
SCHEMBL14482404 0.99 GABBR2 (0.56) GABBR2GABBR1APPALOX5MET
SCHEMBL7754711 0.99 GABBR2 (0.56) GABBR2GABBR1APPALOX5MET
SCHEMBL180576 0.93 APP (0.62) GABBR2GABBR1APPALOX5MET
SCHEMBL28983660 0.93 APP (0.62) GABBR2GABBR1APPALOX5MET
SCHEMBL28983662 0.93 APP (0.62) GABBR2GABBR1APPALOX5MET
SCHEMBL2043021 0.93 APP (0.62) GABBR2GABBR1APPALOX5MET
SCHEMBL2803205 0.91 APP (0.49) GABBR2GABBR1APPALOX5MET
SCHEMBL28294024 0.90 ESR1 (0.49) GABBR2GABBR1APPALOX5MET
SCHEMBL2335025 0.90 ESR1 (0.49) GABBR2GABBR1APPALOX5MET
SCHEMBL14483626 0.90 GABBR2 (0.56) GABBR2GABBR1APPALOX5MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680349-B2 POLYMER MATRIX HAVING A POLAR SIDE CHAIN AND A DAMPING IMPROVER OF BASIC NITROGEN AND A PHENOL-BASED COMPOUND MASAO SUMITA (JP) 2004-01-20 — — US claimed