SCHEMBL10801933

SCHEMBL10801933

CC(CN)COCC(C)CN.CCCCCCN(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 10/20 0.54
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
SPHK1 Q9NYA1 1/20 0.37
LSS P48449 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 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
SCHEMBL9629070 0.79 HTT (0.35) HTTALDH1A1TSHRSPHK1LSS
N,N-Dimethylethanaminium SCHEMBL10799108 0.78 SCN4A (0.34)
Dymanthine SCHEMBL28303409 0.73 DNM1 (0.88) DNM1ALDH1A1TSHRMEN1KMT2A
SCHEMBL284680 0.73 DNM1 (1.00) DNM1ALDH1A1TSHR
SCHEMBL9436929 0.73 DNM1 (1.00) DNM1ALDH1A1TSHR
SCHEMBL25269808 0.73 DNM1 (1.00) DNM1ALDH1A1TSHR
SCHEMBL9807721 0.73 DNM1 (1.00) DNM1ALDH1A1TSHR
SCHEMBL9807727 0.73 DNM1 (1.00) DNM1ALDH1A1TSHR
SCHEMBL119304 0.73 DNM1 (1.00) DNM1ALDH1A1TSHR
SCHEMBL754512 0.73 DNM1 (1.00) DNM1ALDH1A1TSHR

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-4714719-A AN OXYDIAMINE COMPOUND, ODORLESS, NONMIGRATING KAO CORPORATION (JP) 1987-12-22 US disclosed