SCHEMBL9013798

SCHEMBL9013798

O=C(/C=C/C(=O)ON1CCC(Oc2ccc(N3CCCC3)cc2)CC1)ON1CCC(Oc2ccc(N3CCCC3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.44
ACACB O00763 9/20 0.43
PTGS2 P35354 1/20 0.42
NAMPT P43490 1/20 0.42
HRH1 P35367 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
PARP10 Q53GL7 1/20 0.39
CCR3 P51677 1/20 0.39
KCNH2 Q12809 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
SCHEMBL9013888 0.90 FFAR4 (0.42) FFAR4ACACBNAMPTHRH3
SCHEMBL9014033 0.82 PARP15 (0.42) FFAR4ACACBPARP10
SCHEMBL9013972 0.78 HRH3 (0.41) ACACBHRH1HRH3CCR3
SCHEMBL9014134 0.78 CASP6 (0.51) FFAR4ACACBNAMPTHRH1HRH3
SCHEMBL20000474 0.77 L3MBTL1 (0.47) FFAR4ACACBHRH3PARP10KCNH2
SCHEMBL20000543 0.77 PARP10 (0.47) FFAR4ACACBHRH1HRH3PARP10
Fumaric Acid SCHEMBL9013794 0.76 HRH1 (0.51) FFAR4ACACBPTGS2NAMPTHRH1
Fumaric Acid SCHEMBL9013804 0.76 HRH1 (0.51) FFAR4ACACBPTGS2NAMPTHRH1
SCHEMBL3038638 0.76 ALDH1A1 (0.50) FFAR4ACACBHRH3KCNH2
Hydrochloric Acid SCHEMBL9013866 0.74 NAMPT (0.48) ACACBNAMPTHRH1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5580883-A INHIBITING DEGENERATION AND NECROCYTOSIS OF CEREBRAL NERVE CELLS CAUSED BY OXIDATIVE STRESS INDUCING GLUTAMIC ACID IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-03 US disclosed
EP-0449195-B1 Aminobenzene compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-05-08 EP disclosed
EP-0449195-A2 Aminobenzene compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-10-02 EP disclosed