SCHEMBL29000293

SCHEMBL29000293

CCCCCC(=O)OCCC=Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.49
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
CNR1 P21554 1/20 0.43
DNM1 Q05193 1/20 0.42
PAM P19021 2/20 0.42
EPHX2 P34913 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CYP4Z1 Q86W10 1/20 0.41
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
TOP2A P11388 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40

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
SCHEMBL3228372 0.74 DGKA (0.62) DGKATHRBTSHRTP53
SCHEMBL473563 0.74 TDP1 (0.64) DGKADNM1PAMEPHX2
SCHEMBL873938 0.73 DGKA (0.66) DGKADNM1PAMEPHX2
SCHEMBL5351714 0.73 DGKA (0.66) DGKADNM1PAMTSHRTP53
SCHEMBL5350282 0.73 DGKA (0.66) DGKADNM1PAMTSHRTP53
SCHEMBL3506704 0.73 DGKA (0.66) DGKADNM1PAMEPHX2
SCHEMBL11713345 0.73 DGKA (0.66) DGKADNM1PAMTSHRTP53
SCHEMBL5354673 0.73 DGKA (0.66) DGKADNM1PAMTSHRTP53
SCHEMBL873318 0.73 DGKA (0.66) DGKADNM1PAMEPHX2
SCHEMBL3230032 0.73 DGKA (0.66) DGKADNM1PAMTSHRTP53

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-112759672-B Solid catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2023-04-11 CN claimed