SCHEMBL26533574

SCHEMBL26533574

CC(N(C)C)N(C)CCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 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
SCHEMBL23699788 0.91
SCHEMBL2737210 0.75 CA12 (0.44) CA12CA2CA3CA4CA6
SCHEMBL693049 0.74 MAPT (0.43) MAPT
SCHEMBL1872567 0.74 CHRM2 (0.31)
SCHEMBL10759773 0.71 TDP1 (0.40) CA12CA2CA3CA4CA6
SCHEMBL21440039 0.71 CA12 (0.40) CA12CA2CA3CA4CA6
SCHEMBL21377013 0.71 CA12 (0.40) CA12CA2CA3CA4CA6
SCHEMBL578051 0.71 CA12 (0.40) CA12CA2CA3CA4CA6
SCHEMBL23877412 0.70 PRMT3 (0.48)
SCHEMBL28924988 0.69

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-11787895-B2 Sprayable marine foam ICP CONSTRUCTION, INC. (US) 2023-10-17 US disclosed