SCHEMBL11587635

SCHEMBL11587635

c1ccc(CCOCCC2CO2)cc1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.81
KMT2A Q03164 1/20 0.81
TAAR1 Q96RJ0 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
DRD4 P21917 1/20 0.39

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
SCHEMBL2186406 0.84 MEN1 (0.68) MEN1KMT2ATAAR1TDP1
SCHEMBL2186409 0.84 MEN1 (0.68) MEN1KMT2ATAAR1TDP1
SCHEMBL7519513 0.84 MEN1 (0.58) MEN1KMT2ATDP1
SCHEMBL334304 0.84 MEN1 (0.68) MEN1KMT2ATAAR1TDP1
SCHEMBL2549889 0.84 MEN1 (0.58) MEN1KMT2ATDP1
SCHEMBL29606950 0.84 MEN1 (0.68) MEN1KMT2ATAAR1TDP1
SCHEMBL27926923 0.84 MEN1 (0.58) MEN1KMT2ATDP1
SCHEMBL24137898 0.81 MEN1 (0.62) MEN1KMT2ATAAR1SLC6A2SLC6A4
SCHEMBL52143 0.81 MEN1 (0.62) MEN1KMT2ATAAR1SLC6A2SLC6A4
SCHEMBL2077308 0.81 MEN1 (0.62) MEN1KMT2ATAAR1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4020018-A Alkene oxide or acrylate polymerization or copolymerization catalyzed by organoaluminum-organophosphine-metal salt of a beta-diketone PHILLIPS PETROLEUM COMPANY (US) 1977-04-26 US claimed
US-4116869-A POLYMERIZATION PHILLIPS PETROLEUM COMPANY (US) 1978-09-26 US disclosed
US-4095017-A VINYL MONOMER POLYMERIZATION OR COPOLYMERIZATION CATALYZED BY ORGANOALUMINUM-ORGANOPHOSPHINE-METAL SALT OF A BETA-DIKETONE CATALYST SYSTEM PHILLIPS PETROLEUM COMPANY (US) 1978-06-13 US disclosed
US-4041052-A DYES POLYESTER FIBERS ORANGE OR RED-VIOLET CIBA-GEIGY CORPORATION (US) 1977-08-09 US disclosed
US-4020018-A Alkene oxide or acrylate polymerization or copolymerization catalyzed by organoaluminum-organophosphine-metal salt of a beta-diketone PHILLIPS PETROLEUM COMPANY (US) 1977-04-26 US disclosed