SCHEMBL10952967

SCHEMBL10952967

NCCCCOCCOCCCO[SiH3]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
DNM1 Q05193 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
ODC1 P11926 1/20 0.32

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
SCHEMBL93773 0.87
SCHEMBL9823860 0.84
SCHEMBL28376418 0.84 DNM1 (0.50) NFKB1CA12CA1CA2CA3
SCHEMBL337041 0.84
SCHEMBL5715968 0.84
SCHEMBL11236971 0.84 NFKB1 (0.50) NFKB1CA12CA1CA2CA3
SCHEMBL1726884 0.84 NFKB1 (0.50) NFKB1CA12CA1CA2CA3
SCHEMBL5671463 0.84 NFKB1 (0.50) NFKB1CA12CA1CA2CA3
SCHEMBL1344033 0.81 ODC1 (0.47) NFKB1CA12CA1CA2CA3
SCHEMBL5671678 0.81 DNM1 (0.53) NFKB1CA12CA1CA2CA3

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
EP-0147618-A2 Antimicrobial fabrics UOP INC. (US) 1985-07-10 EP disclosed
US-4496363-A Antimicrobial fabrics UOP INC. (US) 1985-01-29 US disclosed