SCHEMBL8154444

SCHEMBL8154444

CCCCCC(=O)OC(Cl)(Cl)CCl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.47
LMNA P02545 3/20 0.44
PAM P19021 2/20 0.43
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
CES2 O00748 4/20 0.41
CES1 P23141 4/20 0.41
AKR1B1 P15121 1/20 0.40
DNM1 Q05193 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
SCHEMBL3216527 0.98 DGKA (0.50) DGKALMNAPAMKDM4EDUSP3
SCHEMBL9400193 0.98 DGKA (0.50) DGKALMNAPAMKDM4EDUSP3
SCHEMBL8945612 0.98 DGKA (0.50) DGKALMNAPAMKDM4EDUSP3
SCHEMBL8945727 0.98 DGKA (0.50) DGKALMNAPAMKDM4EDUSP3
SCHEMBL9095803 0.94 ALDH1A1 (0.41) DGKALMNAPAMKDM4EDUSP3
SCHEMBL733968 0.86 ALDH1A1 (0.46) LMNATSHRALDH1A1CES2CES1
SCHEMBL7155025 0.82 DGKA (0.52) DGKALMNAPAMMEN1KMT2A
SCHEMBL28837891 0.82 DGKA (0.52) DGKALMNAPAMMEN1KMT2A
SCHEMBL7439608 0.81 TSHR (0.33) TSHR
SCHEMBL7891158 0.80 DGKA (0.55) DGKALMNAPAMMEN1KMT2A

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
JP-2000189187-A PRODUCTION OF OPTICALLY ACTIVE 1,1,1-TRIFLUORO-2-ALKANOL CHISSO CORP 2000-07-11 JP disclosed