SCHEMBL27629759

SCHEMBL27629759

CCCC(COc1ccccc1)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.57
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MTNR1A P48039 3/20 0.45
▸ MTNR1B P49286 3/20 0.45
▸ MMP8 P22894 1/20 0.44
▸ PIN1 Q13526 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ GPR88 Q9GZN0 1/20 0.43

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
SCHEMBL1639804 0.83 LMNA (0.47) TDP1LMNAMTNR1AMTNR1BGPR88
SCHEMBL28126891 0.80 TDP1 (0.69) TDP1MEN1KMT2AMAPTLMNA
SCHEMBL28821943 0.79 LMNA (0.47) TDP1LMNAMTNR1AMTNR1BGPR88
SCHEMBL27811283 0.79 TDP1 (0.58) TDP1MEN1KMT2ANPC1MAPT
SCHEMBL10654885 0.79 TDP1 (0.58) TDP1MEN1KMT2ANPC1MAPT
SCHEMBL27831584 0.78 TDP1 (0.56) TDP1MEN1KMT2ANPC1MAPT
SCHEMBL10676882 0.78 TDP1 (0.56) TDP1MEN1KMT2ANPC1MAPT
SCHEMBL27629503 0.77 MEN1 (0.43) TDP1MEN1KMT2ANPC1MAPT
SCHEMBL6718126 0.76 L3MBTL1 (0.61) LMNAL3MBTL1
SCHEMBL4550642 0.76 ALOX5 (0.53) TDP1MEN1KMT2AMAPTLMNA

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-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 — — CN disclosed
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