SCHEMBL28406680

SCHEMBL28406680

CCCCCCCCCCCCCOC(=O)C(C)(CCCCCCCCCCCCC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.44
▸ AKR1C4 P17516 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ NR5A2 O00482 1/20 0.41
▸ NR5A1 Q13285 1/20 0.41
▸ APP P05067 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL206201 0.85 ESR1 (0.47) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL27979924 0.83 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL27837542 0.83 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL206202 0.82 NR5A2 (0.46) NR5A2NR5A1TSHRALDH1A1LMNA
SCHEMBL5415844 0.82 NR5A2 (0.46) NR5A2NR5A1TSHRALDH1A1LMNA
SCHEMBL11459321 0.82 NR5A2 (0.46) NR5A2NR5A1TSHRALDH1A1LMNA
SCHEMBL28952443 0.82 NR5A2 (0.46) NR5A2NR5A1TSHRALDH1A1LMNA
SCHEMBL223689 0.82 NR5A2 (0.46) NR5A2NR5A1TSHRALDH1A1LMNA
SCHEMBL1576411 0.82 NR5A2 (0.46) NR5A2NR5A1TSHRALDH1A1LMNA
SCHEMBL11782328 0.82 NR5A2 (0.46) NR5A2NR5A1TSHRALDH1A1LMNA

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
CN-106536804-B Spunbonded polycarbonate resin filter medium 沙特基础工业全球技术公司 2020-05-05 — — CN disclosed
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