SCHEMBL31286636

SCHEMBL31286636

CCCCCCN(CCCCCC)C(C)=N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.58
CA1 P00915 4/20 0.58
CA9 Q16790 4/20 0.58
CA2 P00918 2/20 0.58
MGLL Q99685 1/20 0.52
DNM1 Q05193 3/20 0.46
ALDH1A1 P00352 2/20 0.43
ALDH2 P05091 1/20 0.43
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
TSHR P16473 2/20 0.40
THRB P10828 1/20 0.40
GBA1 P04062 1/20 0.39
ZDHHC20 Q5W0Z9 2/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
S1PR2 O95136 1/20 0.36

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
SCHEMBL9482613 0.90 ALDH1A1 (0.52) CA12CA1CA9CA2MGLL
SCHEMBL17471893 0.85 ALDH1A1 (0.48) CA12CA1CA9CA2MGLL
SCHEMBL16443318 0.82 CA12 (0.54) CA12CA1CA9CA2MGLL
SCHEMBL16443695 0.82 CA12 (0.54) CA12CA1CA9CA2MGLL
SCHEMBL17710509 0.82 CA12 (0.54) CA12CA1CA9CA2MGLL
SCHEMBL15603354 0.82 CA12 (0.54) CA12CA1CA9CA2MGLL
SCHEMBL17710571 0.82 CA12 (0.54) CA12CA1CA9CA2MGLL
SCHEMBL17710479 0.82 CA12 (0.54) CA12CA1CA9CA2MGLL
SCHEMBL15603403 0.82 CA12 (0.54) CA12CA1CA9CA2MGLL
SCHEMBL17710537 0.82 CA12 (0.54) CA12CA1CA9CA2MGLL

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-12157707-B2 Curable composition for alkaline substrates SIKA TECHNOLOGY AG (CH) 2024-12-03 US disclosed