SCHEMBL11580628

SCHEMBL11580628

CCCN(CC)c1ccc(C)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.53
IGLV6-57 P01721 2/20 0.53
S1PR1 P21453 5/20 0.51
ALDH1A1 P00352 6/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 1/20 0.44
CRHR1 P34998 1/20 0.41
TERT O14746 1/20 0.41
CYP3A4 P08684 3/20 0.39
MAPK1 P28482 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
HIF1A Q16665 1/20 0.39
PSMD14 O00487 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL24220504 0.92 S100B (0.47) S100BIGLV6-57S1PR1ALDH1A1MAPT
SCHEMBL6123766 0.89 S100B (0.50) S100BIGLV6-57S1PR1ALDH1A1MAPT
SCHEMBL4300627 0.87 S100B (0.67) S100BIGLV6-57S1PR1ALDH1A1MAPT
SCHEMBL18831060 0.87 S100B (0.49) S100BIGLV6-57S1PR1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL10630977 0.85 S100B (0.64) S100BIGLV6-57S1PR1ALDH1A1MAPT
SCHEMBL13412506 0.85 S1PR1 (0.56) S100BIGLV6-57S1PR1ALDH1A1MAPT
SCHEMBL10798968 0.83 S100B (0.79) S100BIGLV6-57S1PR1ALDH1A1MAPT
SCHEMBL10208385 0.83 MAPT (0.48) S100BIGLV6-57S1PR1ALDH1A1MAPT
SCHEMBL24220425 0.83 S1PR1 (0.59) S100BIGLV6-57S1PR1ALDH1A1MAPT
SCHEMBL6123691 0.82 S100B (0.47) S100BIGLV6-57S1PR1ALDH1A1MAPT

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-4119669-A PREEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1978-10-10 US disclosed