SCHEMBL9868565

SCHEMBL9868565

CCCCCC(=O)OC(=O)O[C](C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
LMNA P02545 3/20 0.47
PAM P19021 2/20 0.46
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.43
AKR1B1 P15121 1/20 0.43
DNM1 Q05193 1/20 0.42
NAAA Q02083 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
GPR84 Q9NQS5 1/20 0.41

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
SCHEMBL2784002 0.91 DGKA (0.58) DGKALMNAPAMCES2CES1
SCHEMBL119775 0.89 DGKA (0.61) DGKALMNAPAMCES2CES1
SCHEMBL26612058 0.89 DGKA (0.61) DGKALMNAPAMCES2CES1
SCHEMBL8754945 0.89 DGKA (0.61) DGKALMNAPAMCES2CES1
SCHEMBL20564243 0.89 DGKA (0.61) DGKALMNAPAMCES2CES1
SCHEMBL16432631 0.89 DGKA (0.61) DGKALMNAPAMCES2CES1
SCHEMBL1221066 0.89 DGKA (0.61) DGKALMNAPAMCES2CES1
SCHEMBL9867921 0.89 DGKA (0.56) DGKALMNAPAMCES2CES1
SCHEMBL31475476 0.87 DGKA (0.59) DGKALMNAPAMCES2CES1
SCHEMBL28779251 0.87 DGKA (0.59) DGKALMNAPAMCES2CES1

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
US-5015473-A Beta-lactamase inhibitors PFIZER INC. (US) 1991-05-14 US disclosed