SCHEMBL8824271

SCHEMBL8824271

C=CCOC(=O)C(C)(N)C(CC=O)(CC=O)CC=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RHOA P61586 1/20 0.30

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
SCHEMBL19906417 0.80 MAPT (0.38) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL8824177 0.80 TSHR (0.33) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL28712594 0.79 TSHR (0.37) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL1680282 0.76 MAPT (0.40) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL10454577 0.74 MAPT (0.39) TSHRMAPTCACNA1BAPBA1CYP3A4
Water SCHEMBL10920602 0.74 MAPT (0.39) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL25689533 0.73 MAPT (0.38) TSHRMAPTCACNA1BAPBA1CYP3A4
Ammonia Solution, Strong SCHEMBL27928496 0.73 TSHR (0.38) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL194466 0.72 TSHR (0.42) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL7866089 0.72 TSHR (0.42) TSHRMAPTCACNA1BAPBA1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686603-A DERIVED FROM CARBOHYDRATES, SUGARS LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1997-11-11 US disclosed
US-5653970-A CLEANING COMPOUNDS; COSMETICS LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1997-08-05 US disclosed
US-5641480-A ENHANCED STABILITY AND/OR VISCOSITY, CLARITY LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1997-06-24 US disclosed
US-5624906-A Oral hygiene compositions comprising heteroatom containing alkyl aldonamide compounds LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1997-04-29 US disclosed
US-5521293-A Heteroatom containing alkyl aldonamide compounds as superior foaming, more soluble nonionic surfactants and a process for their manufacture LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-05-28 US disclosed