SCHEMBL11221799

SCHEMBL11221799

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(C)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.46
SPHK1 Q9NYA1 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
GBA1 P04062 1/20 0.39
GGPS1 O95749 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MGLL Q99685 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL381403 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL2238752 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL2238442 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL9304975 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL2239219 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL23888724 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL2237184 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL474241 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL7754974 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2
SCHEMBL3540013 1.00 DNM1 (0.46) DNM1SPHK1CA12CA1CA2

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-4338204-A Detergent softener containing anionic, amine, and water soluble cationic THE PROCTER & GAMBLE COMPANY (US) 1982-07-06 US claimed