SCHEMBL21569617

SCHEMBL21569617

C=CC(=O)OCCCOc1cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.39
▸ TSHR P16473 5/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ VCAM1 P19320 12/20 0.34
▸ ELANE P08246 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL18317887 0.75 TSHR (0.57) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL17546543 0.75 ELANE (0.50) VCAM1ELANE
SCHEMBL21569615 0.75 THRB (0.41) THRBTSHRALDH1A1CYP3A4TP53
SCHEMBL11651650 0.75 THRB (0.54) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL19049949 0.73 ELANE (0.38) VCAM1ELANE
SCHEMBL17171700 0.72 CA1 (0.50) VCAM1ELANE
SCHEMBL17171734 0.72 VCAM1 (0.53) HPGDALDH1A1VCAM1ELANEHIF1A
SCHEMBL14586318 0.72 VCAM1 (0.53) TSHRHPGDALDH1A1CYP3A4VCAM1
SCHEMBL11655315 0.72 TSHR (0.50) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL17171727 0.71 VCAM1 (0.39) THRBVCAM1

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
WO-2019216266-A1 COMPOUND, LATENT ADDITIVE, COMPOSITION, CURED PRODUCT, METHOD FOR PRODUCING CURED PRODUCT, AND METHOD FOR PRODUCING COMPOSITION 株式会社ADEKA (JP) 2019-11-14 — — WO disclosed
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