SCHEMBL9560975

SCHEMBL9560975

CCCCCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.49
MAPT P10636 1/20 0.46
LMNA P02545 4/20 0.45
ALDH1A1 P00352 1/20 0.45
PAM P19021 2/20 0.45
KDM4E B2RXH2 1/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.43
PRKCA P17252 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCD Q05655 1/20 0.42
DNM1 Q05193 1/20 0.42
FAAH O00519 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 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
SCHEMBL9560708 1.00 DGKA (0.49) DGKAMAPTLMNAALDH1A1PAM
SCHEMBL9560506 0.98 DGKA (0.46) DGKAMAPTLMNAALDH1A1PAM
SCHEMBL9560913 0.94 DGKA (0.46) DGKAMAPTLMNAALDH1A1PAM
SCHEMBL9615328 0.94 DGKA (0.46) DGKAMAPTLMNAALDH1A1PAM
SCHEMBL9560361 0.94 DGKA (0.46) DGKAMAPTLMNAALDH1A1PAM
SCHEMBL9560509 0.94 DGKA (0.46) DGKAMAPTLMNAALDH1A1PAM
SCHEMBL9560266 0.94 DGKA (0.46) DGKAMAPTLMNAALDH1A1PAM
SCHEMBL9560655 0.94 DGKA (0.46) DGKAMAPTLMNAALDH1A1PAM
SCHEMBL9560620 0.94 DGKA (0.46) DGKAMAPTLMNAALDH1A1PAM
SCHEMBL9560268 0.94 DGKA (0.40) DGKAMAPTLMNAALDH1A1PAM

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
US-5190688-A Perfluoroalkyl Compounds Dopes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-02 US disclosed
EP-0300009-B1 LIQUID CRYSTALLINE MIXTURE MERCK PATENT GmbH (DE) 1992-01-02 EP disclosed