SCHEMBL13743010

SCHEMBL13743010

CN(C)CCCOC(=O)CCCCCCCCCCC1C=CCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
USP2 O75604 1/20 0.68
ALOX15 P16050 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
DNM1 Q05193 1/20 0.46
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DGKA P23743 1/20 0.36
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NAAA Q02083 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL12794352 1.00 ALDH1A1 (0.68) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL12794350 1.00 ALDH1A1 (0.68) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL6521153 0.94 ALDH1A1 (0.61) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL12794355 0.93 ALDH1A1 (0.60) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL3397898 0.82 USP2 (0.68) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL6522833 0.82 USP2 (0.68) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL20924903 0.81 ALDH1A1 (0.48) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL12847942 0.78 DNM1 (0.55) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL12847938 0.78 DNM1 (0.55) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL3400533 0.77 ALDH1A1 (0.60) ALDH1A1USP2ALOX15TDP1TSHR

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
WO-2009101321-A2 CATIONIC SURFACTANT COMPOUNDS, USE THEREOF AS CONDITIONER, COSMETIC TREATMENT METHOD, AND COSMETIC OR PHARMACEUTICAL COMPOSITIONS COMPRISING SAME L'OREAL (FR) 2009-08-20 WO disclosed