SCHEMBL8710552

SCHEMBL8710552

CC(C)(O)C(=O)c1ccccc1OCCOC(=O)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ TSHR P16473 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ PKM P14618 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7696703 0.83 ALDH1A1 (0.57) ALDH1A1NPSR1RXFP1KMT2ATDP1
SCHEMBL8218171 0.76 ALDH1A1 (0.57) ALDH1A1NPSR1RXFP1TDP1L3MBTL1
SCHEMBL2758600 0.74 THRB (0.55) ALDH1A1TSHRMAPTKMT2AMEN1
SCHEMBL7778728 0.73 ALDH1A1 (0.54) ALDH1A1NPSR1RXFP1KMT2ATDP1
SCHEMBL1558107 0.73 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL30140567 0.73 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL18792155 0.71 RAB9A (0.58) ALDH1A1TSHRMAPTNPSR1RXFP1
SCHEMBL521967 0.71 ALDH1A1 (0.83) ALDH1A1MAPTNPSR1RXFP1KMT2A
SCHEMBL8206768 0.71 ALDH1A1 (0.60) ALDH1A1NPSR1RXFP1TDP1L3MBTL1
SCHEMBL29000793 0.70 ALDH1A1 (0.72) ALDH1A1MAPTNPSR1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830432-A1 IMPROVED INK FOR INK JET PRINTERS Kimberly-Clark Worldwide, Inc. (US) 1998-03-25 — — EP claimed
WO-1996039467-A1 IMPROVED INK FOR INK JET PRINTERS KIMBERLY-CLARK WORLDWIDE, INC. (US) 1996-12-12 — — WO claimed
EP-0830638-A1 NOVEL PRE-DYES Kimberly-Clark Worldwide, Inc. (US) 1998-03-25 — — EP disclosed
WO-1996039646-A1 NOVEL PRE-DYES KIMBERLY-CLARK WORLDWIDE, INC. (US) 1996-12-12 — — WO disclosed
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