SCHEMBL5604756

SCHEMBL5604756

O=C(OCCC1CC=CCC1)C1CC=CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.39
▸ KDM4E B2RXH2 9/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ PKM P14618 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 4/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL11835168 0.86 MIF (0.44) MIFKDM4EALDH1A1PKMMEN1
SCHEMBL472104 0.83 MIF (0.40) MIFKDM4EALDH1A1PKMMEN1
SCHEMBL13406439 0.81 MIF (0.41) MIFKDM4EALDH1A1PKMMEN1
SCHEMBL17992473 0.81 MIF (0.41) MIFKDM4EALDH1A1PKMMEN1
SCHEMBL4754792 0.80 PPM1B (0.41) MIFKDM4EALDH1A1PKMMEN1
SCHEMBL17862134 0.79 MIF (0.44) MIFKDM4EALDH1A1PKMMEN1
SCHEMBL12431716 0.78 MIF (0.41) MIFKDM4EALDH1A1PKMMEN1
SCHEMBL108178 0.77 ALDH1A1 (0.40) MIFKDM4EALDH1A1MEN1KMT2A
SCHEMBL17616825 0.77 ALDH1A1 (0.37) MIFKDM4EALDH1A1PKMALOX15
SCHEMBL17717450 0.76 MIF (0.38) MIFKDM4EALDH1A1MEN1KMT2A

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
US-7268181-B2 Volume-modified casting compounds based on polymeric matrix resins ABB RESEARCH LTD (CH) 2007-09-11 — — US disclosed
US-20040249060-A1 Volume-modified casting compounds based on polymeric matrix resins ABB RESEARCH LTD (CH) 2004-12-09 — — US disclosed
US-20040014922-A1 Aqueous polyurethane coating compositions DSM IP ASSETS B.V. (NL) 2004-01-22 — — US disclosed
US-5965637-A THERMOSETTING BLENDS CONTAINING A SILICONE-MODIFIED EPOXY MONOMER IN WHICH ORGANIC COMPONENTS CONTAINING EPOXY GROUPS ARE CHEMICALLY BONDED TO SILICONE COMPONENTS AND A MINERAL FILLER AS THE CASTING COMPOUNDS FOR ELECTRONIC COMPONENTS ROBERT BOSCH GMBH (DE) 1999-10-12 — — US disclosed
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