SCHEMBL11659012

SCHEMBL11659012

CCCC(N)CCc1ccc(CCC(N)CCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 8/20 0.53
▸ S1PR3 Q99500 7/20 0.53
▸ S1PR2 O95136 7/20 0.53
▸ S1PR4 O95977 4/20 0.51
▸ SIGMAR1 Q99720 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SPHK1 Q9NYA1 1/20 0.38
▸ CA2 P00918 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
SCHEMBL22129794 0.90 TAAR1 (0.47) S1PR1S1PR3S1PR2S1PR4TAAR1
SCHEMBL5323248 0.89 S1PR1 (0.49) S1PR1S1PR3S1PR2S1PR4SIGMAR1
SCHEMBL172466 0.89 S1PR1 (0.49) S1PR1S1PR3S1PR2S1PR4SIGMAR1
SCHEMBL14528095 0.80 S1PR1 (0.45) S1PR1S1PR3S1PR2S1PR4TAAR1
SCHEMBL27378825 0.80 S1PR1 (0.49) S1PR1S1PR3S1PR2S1PR4SIGMAR1
SCHEMBL12032154 0.79 S1PR1 (0.48) S1PR1S1PR3S1PR2S1PR4SIGMAR1
SCHEMBL29032102 0.78 S1PR1 (0.55) S1PR1S1PR3S1PR2S1PR4SIGMAR1
SCHEMBL6654413 0.78 HRH3 (0.48) S1PR1S1PR3S1PR2S1PR4TAAR1
SCHEMBL11134033 0.77 S1PR2 (0.51) S1PR1S1PR3S1PR2S1PR4SIGMAR1
SCHEMBL29268867 0.77 TAAR1 (0.55) SIGMAR1TAAR1

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-4097462-A OXIDATIVE COUPLING OF A PHENOL, PRECIPITATION, MANGANESE (II) HYDROXYOXIME CHELATE CATALYST GENERAL ELECTRIC COMPANY (US) 1978-06-27 — — US disclosed
US-3972851-A Preparation of polyphenylene oxide using a manganese(II) ortho-hydroxyarene-oxime chelate reaction promoter GENERAL ELECTRIC COMPANY (US) 1976-08-03 — — US disclosed
US-3965069-A Polyphenylene oxide is prepared using a mixture of manganese chelates as a catalyst GENERAL ELECTRIC COMPANY (US) 1976-06-22 — — US disclosed
US-3956242-A Preparation of polyphenylene oxide using a manganese (II) ω-hydroxyoxime chelate reaction promoter GENERAL ELECTRIC COMPANY (US) 1976-05-11 — — US disclosed
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