SCHEMBL6074931

SCHEMBL6074931

CN(C)CCCN(C(N)=S)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
PKM P14618 1/20 0.38
PHGDH O43175 2/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 4/20 0.35
HRH4 Q9H3N8 2/20 0.34
CYP1A2 P05177 2/20 0.34
HRH2 P25021 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PYGL P06737 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 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
SCHEMBL6539146 0.78 PHGDH (0.36) PHGDHFAAHMGLLALDH1A1CYP1A2
SCHEMBL15259538 0.75 PHGDH (0.40) PHGDHFAAHMGLLALDH1A1CYP1A2
SCHEMBL8044010 0.74 L3MBTL1 (0.37) ALDH1A1CYP3A4LMNA
SCHEMBL3452419 0.73 EPHX2 (0.40) PKMALDH1A1PYGLLMNA
SCHEMBL28647785 0.72 ALDH1A1 (0.46) PHGDHFAAHMGLLALDH1A1TDP1
SCHEMBL21197527 0.71 ALOX5 (0.39) SIGMAR1ALDH1A1PYGL
SCHEMBL9424888 0.71 SIGMAR1 (0.50) SIGMAR1PKMPHGDHFAAHMGLL
SCHEMBL28865758 0.71 SIGMAR1 (0.50) SIGMAR1PKMPHGDHFAAHMGLL
Hydrochloric Acid SCHEMBL21198740 0.70 ALOX5 (0.38) SIGMAR1ALDH1A1PYGL
SCHEMBL27661955 0.70 MEN1 (0.37) ALDH1A1

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-7022721-B1 Method and composition for rejuvenating cells, tissues, organs, hair and nails ULRICH PETER C 2006-04-04 US disclosed