SCHEMBL9863457

SCHEMBL9863457

CCCCCCCCCCCCCCCCCCOCC(COC(=O)N(CCN(C)C)C(C)=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.42
THRA P10827 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
Iodide SCHEMBL9864641 0.89
SCHEMBL9863484 0.81 TLR2 (0.48) TLR2
Hydrochloric Acid SCHEMBL9863655 0.80 SMN1; SMN2 (0.40)
SCHEMBL9863415 0.80 ADRA1D (0.44)
Hydrochloric Acid SCHEMBL9863634 0.78 DNM1 (0.36)
SCHEMBL18641859 0.78 PLA2G10 (0.47) TLR2
SCHEMBL10604671 0.78 PLA2G10 (0.47) TLR2
SCHEMBL10604578 0.78 PLA2G10 (0.47) TLR2
SCHEMBL10605748 0.78 PLA2G10 (0.47) TLR2
SCHEMBL9863686 0.77 ASAH1 (0.36) THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5025005-A Preventive or therapeutic agents for circulatory diseases, allergic disorders; antineoplastic agent; inhibitor for platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-18 US disclosed
US-4737518-A ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-12 US disclosed