SCHEMBL5708573

SCHEMBL5708573

OCC(CN1CCN(CCCc2ccccc2)CC1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.63
SMN1; SMN2 Q16637 2/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
SLC6A2 P23975 1/20 0.58
MAPK1 P28482 1/20 0.58
SLC6A4 P31645 1/20 0.58
CYP2C19 P33261 1/20 0.58
THPO P40225 1/20 0.58
MTOR P42345 1/20 0.58
RAB9A P51151 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HIF1A Q16665 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL13150316 0.79 SIGMAR1 (0.67) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL6550825 0.79 SIGMAR1 (1.00) SIGMAR1
SCHEMBL2962629 0.79 SIGMAR1 (1.00) SIGMAR1
SCHEMBL3589625 0.78 ALDH1A1 (0.51) SMN1; SMN2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL11399131 0.78 SIGMAR1 (0.81) SIGMAR1
SCHEMBL7329630 0.78 SIGMAR1 (0.81) SIGMAR1TSHR
SCHEMBL7398421 0.75 SIGMAR1 (0.65) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL16226519 0.75 HDAC4 (0.69) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL8550741 0.74 POLB (0.55) SMN1; SMN2TP53MAPTMAPK1RAB9A
SCHEMBL10042374 0.74 SIGMAR1 (0.73) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6

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
EP-1714639-A1 Cosmetic compositions containing piperazine derivatives L'OREAL (FR) 2006-10-25 EP disclosed