SCHEMBL3785749

SCHEMBL3785749

CC1(C)CC(ON2C(C)(C)CC(N)CC2(C)C)CC(C)(C)N1[O]

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 1/20 0.31
HSD17B10 Q99714 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
Tempamine SCHEMBL50504 0.83 CA1 (0.31)
SCHEMBL2460964 0.81
SCHEMBL17907526 0.81 TSHR (0.32) ALDH1A1ESR1HSD17B10
SCHEMBL3338321 0.77
SCHEMBL1527690 0.74
SCHEMBL18065398 0.73
Acetic Acid SCHEMBL4438748 0.72 TSHR (0.33) ALDH1A1ESR1HSD17B10
SCHEMBL50095 0.70
SCHEMBL6454675 0.70
SCHEMBL10476584 0.69

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-20100232088-A1 SEALING MATERIAL FOR ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR EMPLOYING THE SEALING MATERIAL THE YOKOHAMA RUBBER CO., LTD. (JP) 2010-09-16 US disclosed