SCHEMBL5591284

SCHEMBL5591284

C=CCNC(CCCCCCCCCCCCCCCCCC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TACR3 P29371 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
NAAA Q02083 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTR2A P28223 1/20 0.37
ICMT O60725 1/20 0.37
ALB P02768 1/20 0.37
KCNH2 Q12809 1/20 0.37
ASAH1 Q13510 1/20 0.37
CACNA2D1 P54289 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
SCHEMBL20843407 0.87 SMN1; SMN2 (0.46) SMN1; SMN2TACR3OPRM1SIGMAR1ALDH1A1
SCHEMBL11264847 0.82 SLC2A1 (0.54) SLC2A1TACR3OPRM1OPRD1OPRK1
SCHEMBL19513915 0.82 SLC2A1 (0.54) SLC2A1TACR3OPRM1OPRD1OPRK1
SCHEMBL11258095 0.81 SLC2A1 (0.54) SLC2A1TACR3NAAASIGMAR1ALDH1A1
SCHEMBL27462652 0.80 SLC2A1 (0.55) SLC2A1TACR3NAAASIGMAR1ALDH1A1
SCHEMBL3234142 0.80 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL11489607 0.80 SLC2A1 (0.60) SLC2A1SMN1; SMN2TACR3NAAASIGMAR1
Hydrochloric Acid SCHEMBL2322263 0.79 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPT
SCHEMBL9662250 0.78 CYP3A4 (0.53) SLC2A1SMN1; SMN2OPRM1OPRK1NAAA
SCHEMBL9329875 0.78 SLC2A1 (0.51) SLC2A1TACR3OPRM1NAAAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747801-B1 Nail coating comprising a polymer with a polyalkylene chain OREAL (FR) 2012-11-14 EP disclosed
EP-1747801-A1 Nail coating comprising a polymer with a polyalkylene chain L'OREAL (FR) 2007-01-31 EP disclosed