Sugi Predict

Sugi Predict / Compounds / SCHEMBL8096714

SCHEMBL8096714

SCHEMBL8096714

CCC(Cc1ccccc1O)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 13/20 0.60
▸ ESR2 Q92731 10/20 0.60
▸ KEAP1 Q14145 1/20 0.46
▸ IDO1 P14902 2/20 0.43
▸ AR P10275 1/20 0.42
▸ HSPA5 P11021 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL311875 0.79 ESR1 (0.64) ESR1ESR2ALDH1A1CYP3A4
SCHEMBL28794941 0.79 ESR1 (0.58) ESR1ESR2KEAP1IDO1AR
SCHEMBL28613436 0.77 ESR1 (0.83) ESR1ESR2ARALDH1A1CYP3A4
SCHEMBL2014096 0.77 ESR1 (0.62) ESR1ESR2ALDH1A1CYP3A4
SCHEMBL258649 0.77 ESR1 (1.00) ESR1ESR2ARALDH1A1CYP3A4
SCHEMBL28042628 0.72 HSPA5 (0.48) KEAP1IDO1HSPA5ALDH1A1
SCHEMBL10850944 0.72 HSPA5 (0.48) KEAP1IDO1HSPA5ALDH1A1
Bisphenol A SCHEMBL29219392 0.71 ESR1 (0.62) ESR1ESR2KEAP1IDO1AR
SCHEMBL6894379 0.71 ESR1 (0.78) ESR1ESR2ARALDH1A1CYP3A4
SCHEMBL31607400 0.71 IDO1 (0.48) KEAP1IDO1HSPA5

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-6114487-A COATING AGENT, MOLDING MATERIAL, IMPROVED MOLD RELEASE DOW CORNING TORAY SILICONE CO., LTD. (JP) 2000-09-05 — — US disclosed