SCHEMBL28634633

SCHEMBL28634633

CCCCCCCCCC(=O)OCC[Si](C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.71
DNM1 Q05193 1/20 0.59
PAM P19021 2/20 0.55
TSHR P16473 1/20 0.51
MAPT P10636 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
LMNA P02545 4/20 0.50
NAAA Q02083 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.49
DUSP3 P51452 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR2C P28335 1/20 0.49
PRKCA P17252 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCD Q05655 1/20 0.46

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
SCHEMBL6535251 0.92 DGKA (0.59) DGKADNM1PAMTSHRMAPT
SCHEMBL6162951 0.85 DGKA (0.50) DGKADNM1PAMTSHRLMNA
SCHEMBL6163153 0.85 DGKA (0.50) DGKADNM1PAMTSHRLMNA
SCHEMBL6159417 0.85 DGKA (0.50) DGKADNM1PAMTSHRLMNA
SCHEMBL14518483 0.85 NAAA (0.60) DGKADNM1PAMTSHRPRSS1
SCHEMBL5845272 0.85 DGKA (0.50) DGKADNM1PAMTSHRMAPT
SCHEMBL5971956 0.85 DGKA (0.50) DGKADNM1PAMTSHRLMNA
SCHEMBL8161925 0.84 DGKA (1.00) DGKADNM1PAMTSHRMAPT
Glycol Distearate SCHEMBL29407 0.84 DGKA (1.00) DGKADNM1PAMTSHRMAPT
SCHEMBL8154593 0.84 DGKA (1.00) DGKADNM1PAMTSHRMAPT

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
CN-113382767-A Substituted urea compounds 第一三共株式会社 2021-09-10 CN disclosed