SCHEMBL9863402

SCHEMBL9863402

CCCCCCCCCCCCCCCCCCOCC(COC(=O)NCCBr)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 10/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9863456 0.91 TLR2 (0.50) TLR2SMN1; SMN2LMNANPC1RAB9A
SCHEMBL9576035 0.90 TLR2 (0.49) TLR2SMN1; SMN2LMNANPC1RAB9A
SCHEMBL9863484 0.88 TLR2 (0.48) TLR2SMN1; SMN2LMNANPC1RAB9A
Iodide SCHEMBL9864526 0.87 TLR2 (0.47) TLR2
Hydrochloric Acid SCHEMBL9863601 0.87 TLR2 (0.47) TLR2SMN1; SMN2LMNA
SCHEMBL9575970 0.84 TLR2 (0.45) TLR2LMNAL3MBTL1
SCHEMBL31613224 0.82 HTT (0.52) SMN1; SMN2LMNAHTTMAPTL3MBTL1
SCHEMBL9863436 0.81 TLR2 (0.44) TLR2SMN1; SMN2LMNANPC1RAB9A
SCHEMBL10833466 0.81 HTT (0.51) HTT
SCHEMBL18641859 0.80 PLA2G10 (0.47) TLR2L3MBTL1

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