SCHEMBL8533291

SCHEMBL8533291

CCCCC(CC)COC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.48
TSHR P16473 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 6/20 0.44
LMNA P02545 3/20 0.44
HSD17B10 Q99714 1/20 0.44
CA2 P00918 2/20 0.43
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
RECQL P46063 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAPK1 P28482 2/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL8987290 0.90 LMNA (0.40) LMNAPRSS1PRSS2PRSS3KDM4E
SCHEMBL8987469 0.90 LMNA (0.40) LMNAPRSS1PRSS2PRSS3KDM4E
SCHEMBL8533788 0.85 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
Ammonia Solution, Strong SCHEMBL9998720 0.82 TSHR (0.57) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL28598856 0.82 TSHR (0.57) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL23878446 0.82 TSHR (0.57) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL8529853 0.80 ALDH1A1 (0.43) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL28062999 0.78 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL8531563 0.77 CYP3A4 (0.55) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL9702525 0.77 CYP3A4 (0.58) CYP3A4TSHRTDP1ATMALDH1A1

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-5849308-A Method of providing surfactant properties to a cosmetic or pharmaceutical composition using alkyl N-(hydroxyalkyl) carbamates L'OREAL (FR) 1998-12-15 US disclosed