SCHEMBL27870043

SCHEMBL27870043

CCOc1ccc(C(=O)CC)c(OCC)c1OCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.46
▸ CA9 Q16790 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 3/20 0.42
▸ HSP90AB1 P08238 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ HMGCR P04035 1/20 0.39
▸ MAPK1 P28482 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
SCHEMBL4637334 0.86 HPGDS (0.46) PDE4DKDM4EHSD17B10ALDH1A1L3MBTL1
SCHEMBL15154811 0.85 HSD17B10 (0.46) PDE4DKDM4EHSD17B10ALDH1A1L3MBTL1
SCHEMBL9653311 0.84 HCRTR1 (0.49) KDM4EL3MBTL1TSHRGLAHCRTR1
SCHEMBL6896319 0.84 TSHR (0.50) KDM4EHSD17B10ALDH1A1L3MBTL1HPGD
SCHEMBL10498173 0.84 TSHR (0.55) PDE4DCA9KDM4EHSD17B10ALDH1A1
SCHEMBL8352520 0.82 PDE4D (0.43) PDE4DKDM4EHSD17B10ALDH1A1L3MBTL1
SCHEMBL31228725 0.81 TSHR (0.52) CA9KDM4EHSD17B10ALDH1A1L3MBTL1
SCHEMBL27904110 0.81 TDP1 (0.54) PDE4DKDM4EHSD17B10ALDH1A1L3MBTL1
SCHEMBL9196941 0.78 ALDH1A1 (0.48) KDM4EHSD17B10ALDH1A1L3MBTL1HPGD
SCHEMBL11695549 0.77 LMNA (0.54) KDM4EHSD17B10L3MBTL1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102452910-B Preparation method for 3,4,5-trialkoxy phenol KUNMING PHARMACEUTICAL CORP 2014-09-03 — — CN disclosed
CN-102452910-A Method for preparing 3,4, 5-trialkoxy phenol KUNMING PHARMACEUTICAL CORP 2012-05-16 — — CN disclosed
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