SCHEMBL20534346

SCHEMBL20534346

COC(=O)C(N)(N)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
ALDH1A1 P00352 2/20 0.32
KCNN4 O15554 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CA14 Q9ULX7 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL29113995 0.77 TSHR (0.42) ALDH1A1SMN1; SMN2CYP1A2CA14MAPT
SCHEMBL4511104 0.77 DGAT1 (0.44) DGAT1ALDH1A1KCNN4SMN1; SMN2CA14
SCHEMBL4372798 0.77 DGAT1 (0.44) DGAT1ALDH1A1KCNN4SMN1; SMN2CA14
SCHEMBL4372797 0.77 DGAT1 (0.44) DGAT1ALDH1A1KCNN4SMN1; SMN2CA14
SCHEMBL14915714 0.73 DGAT1 (0.37) DGAT1KCNN4CYP1A2CYP2D6
SCHEMBL14915715 0.73 DGAT1 (0.37) DGAT1KCNN4CYP1A2CYP2D6
SCHEMBL234272 0.72 DGAT1 (0.44) DGAT1ALDH1A1KCNN4SMN1; SMN2CA14
SCHEMBL28918161 0.72 DGAT1 (0.44) DGAT1ALDH1A1KCNN4SMN1; SMN2CA14
SCHEMBL23277645 0.72 KCNN4 (0.35) DGAT1ALDH1A1KCNN4SMN1; SMN2
Hydrochloric Acid SCHEMBL31517201 0.72 DGAT1 (0.40) DGAT1

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
WO-2018190776-A8 SUGAR-DERIVED CATIONIC BLOCK POLY(BETA-PEPTIDES) NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2018-12-13 WO disclosed
WO-2018190776-A1 SUGAR-DERIVED CATIONIC BLOCK POLY(BETA-PEPTIDES) NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2018-10-18 WO disclosed