SCHEMBL9258846

SCHEMBL9258846

NCCCNN1CCOCC1=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
KEAP1 Q14145 1/20 0.35
F10 P00742 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
PTGS2 P35354 1/20 0.30

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
SCHEMBL21169630 0.81 POLB (0.38) SMN1; SMN2F10POLBGAA
SCHEMBL7368280 0.74 TSHR (0.34)
SCHEMBL3568870 0.70 SMN1; SMN2 (0.47) SMN1; SMN2KEAP1F10POLBGAA
Hydrochloric Acid SCHEMBL5477431 0.69 SMN1; SMN2 (0.46) SMN1; SMN2KEAP1F10POLBGAA
SCHEMBL28407647 0.68 F10 (0.52) F10PTGS2
SCHEMBL21329587 0.66 F10 (0.37) SMN1; SMN2KEAP1F10POLBGAA
SCHEMBL12495761 0.65
SCHEMBL20551743 0.62 PRMT5 (0.37) SMN1; SMN2F10POLBGAA
SCHEMBL3213071 0.61
SCHEMBL16429126 0.61 PTGS2 (0.44) SMN1; SMN2GAAPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5427774-A A cationic sunscreen agents; water insolubility, receptivity, nonhydrolyzing, chemical resistance, stability ISP VAN DYK INC. (US) 1995-06-27 US disclosed