Edetol

Edetol

SCHEMBL9480433

CC(C)(N)CO.CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 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
Deanol SCHEMBL17110787 0.91 CYP1A2 (0.35) ALDH1A1CYP1A2CYP3A4CYP2C9HIF1A
Edetol SCHEMBL9450785 0.89 ALDH1A1 (0.33) ALDH1A1TDP1KDM4E
Edetol SCHEMBL17728141 0.83 KDM4E (0.38) ALDH1A1TDP1KDM4E
SCHEMBL23092103 0.83 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9HIF1AKDM4E
Edetol SCHEMBL2803498 0.81 TSHR (0.39) ALDH1A1TDP1KDM4E
Edetol SCHEMBL48412 0.81 TSHR (0.39) ALDH1A1TDP1KDM4E
SCHEMBL1653564 0.78 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9HIF1AKDM4E
SCHEMBL9785645 0.78 KDM4E (0.38) ALDH1A1TDP1KDM4E
Edetol SCHEMBL20942798 0.78 KDM4E (0.38) ALDH1A1TDP1KDM4E
Edetol SCHEMBL8989695 0.78 KDM4E (0.38) ALDH1A1TDP1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5198218-A Shelf life CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1993-03-30 US disclosed
US-5128123-A CLEAR COSMETIC STICKS CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1992-07-07 US disclosed
US-5114717-A Polyhydric alcohol, soap, polyether block copolymer, fragrance CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1992-05-19 US disclosed