SCHEMBL7368460

SCHEMBL7368460

CCCCCCC(=O)OCOC=O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 2/20 0.62
TSHR P16473 1/20 0.58
PAM P19021 2/20 0.56
MAPT P10636 2/20 0.53
LMNA P02545 4/20 0.51
DNM1 Q05193 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KDM4E B2RXH2 1/20 0.50
DUSP3 P51452 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PRKCA P17252 1/20 0.47
PRKCE Q02156 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCD Q05655 1/20 0.47
MAPK1 P28482 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
SCHEMBL20751605 1.00 DGKA (0.62) DGKATSHRPAMMAPTLMNA
SCHEMBL20751579 1.00 DGKA (0.62) DGKATSHRPAMMAPTLMNA
SCHEMBL20751585 1.00 DGKA (0.62) DGKATSHRPAMMAPTLMNA
SCHEMBL3115661 0.98 DGKA (0.59) DGKATSHRPAMMAPTLMNA
SCHEMBL7989709 0.92 DGKA (0.50) DGKATSHRPAMMAPTLMNA
SCHEMBL16351435 0.84 DGKA (0.67) DGKATSHRPAMMAPTLMNA
SCHEMBL9276669 0.84 DGKA (0.67) DGKATSHRPAMMAPTLMNA
SCHEMBL16351434 0.84 DGKA (0.67) DGKATSHRPAMMAPTLMNA
SCHEMBL844443 0.84 ALDH1A1 (0.48) DGKATSHRPAMMAPTLMNA
SCHEMBL11226211 0.83 DGKA (0.78) DGKATSHRPAMMAPTLMNA

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
EP-0970071-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 2000-01-12 EP disclosed
WO-1998039324-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-11 WO disclosed