SCHEMBL8855545

SCHEMBL8855545

C=CCC(CC=O)(C(=O)O)N(C)CC=O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 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
SCHEMBL8855575 0.82 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL8824278 0.77 CYP3A4 (0.34) ALDH1A1TSHR
SCHEMBL8855673 0.71
SCHEMBL8855747 0.71
SCHEMBL8855697 0.68 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL28190380 0.66 ALDH1A1 (0.46) ALDH1A1TSHRHTT
SCHEMBL28190381 0.66 ALDH1A1 (0.46) ALDH1A1TSHRHTT
SCHEMBL8824202 0.65 TSHR (0.31) TSHR
SCHEMBL16246687 0.64 TSHR (0.36) ALDH1A1TSHRHTT
Ammonia Solution, Strong SCHEMBL27575043 0.63 ODC1 (0.35) ALDH1A1TSHR

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 2 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-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