SCHEMBL17997992

SCHEMBL17997992

Cc1ccccc1OCCCCCCOCCO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
LMNA P02545 4/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
STAT3 P40763 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL9310033 0.89 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AMEN1TDP1
SCHEMBL2470447 0.89 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AMEN1TDP1
SCHEMBL14380792 0.85 ALDH1A1 (0.68) ALDH1A1LMNAKMT2AMEN1MAPK1
SCHEMBL515977 0.85 ALDH1A1 (0.62) ALDH1A1LMNAKMT2ATDP1CYP2D6
SCHEMBL516179 0.83 ALDH1A1 (0.65) ALDH1A1LMNAKMT2AMEN1TDP1
SCHEMBL9808080 0.83 ALDH1A1 (0.62) ALDH1A1LMNAKMT2AMEN1MAPK1
Di(Hydroxyethyl)Ether SCHEMBL2470446 0.82 MEN1 (0.47) ALDH1A1KMT2AMEN1MAPK1TDP1
SCHEMBL10491992 0.79 ALDH1A1 (0.55) ALDH1A1LMNAKMT2ATDP1CYP2D6
SCHEMBL18312558 0.79 ALDH1A1 (0.55) ALDH1A1LMNAKMT2ATDP1CYP2D6
SCHEMBL11679951 0.79 CYP2D6 (0.61) ALDH1A1LMNAKMT2AMEN1MAPK1

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-2498746-B1 SKIN CARE COMPOSITIONS COMPRISING PHENOXYALKYL AMINES UNILEVER PLC NO 41424 (GB) 2016-08-24 EP disclosed