SCHEMBL10804065

SCHEMBL10804065

CC(C)(C)C(=O)Oc1ccccc1-c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ GAA P10253 2/20 0.46
▸ PGR P06401 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PPARG P37231 4/20 0.46
▸ PPARA Q07869 4/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ ALOX5 P09917 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ ADK P55263 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL31748924 0.87 ALDH1A1 (0.60) ELANEALDH1A1HSD17B10KDM4EGAA
SCHEMBL1538258 0.87 ALDH1A1 (0.60) ELANEALDH1A1HSD17B10KDM4EGAA
SCHEMBL16239664 0.87 ELANE (0.67) ELANE
SCHEMBL10806722 0.82 GSK3B (0.56) ALDH1A1HSD17B10KDM4EGAAPGR
SCHEMBL2291363 0.82 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EGAAPGR
SCHEMBL1156687 0.80 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EGAAPGR
SCHEMBL2291368 0.80 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EGAAPGR
SCHEMBL16236500 0.80 ELANE (0.59) ELANEALDH1A1HSD17B10KDM4EGAA
SCHEMBL16237294 0.80 ELANE (0.59) ELANEALDH1A1HSD17B10KDM4EHPGD
SCHEMBL16236834 0.79 ELANE (0.57) ELANE

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
EP-0124369-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-06-24 — — EP disclosed
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