SCHEMBL28846310

SCHEMBL28846310

CCCCC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.49
DNM1 Q05193 1/20 0.41
PAM P19021 2/20 0.38
HTR2C P28335 1/20 0.37
MGLL Q99685 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
NAAA Q02083 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
THRB P10828 1/20 0.36
CNR1 P21554 1/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL22331132 0.94 DGKA (0.59) DGKADNM1PAMPRSS1PRSS2
SCHEMBL8752134 0.94 DGKA (0.54) DGKADNM1PAMHTR2CPRSS1
SCHEMBL8752067 0.92 DGKA (0.57) DGKADNM1PAMPRSS1PRSS2
SCHEMBL8752108 0.92 DGKA (0.57) DGKADNM1PAMPRSS1PRSS2
SCHEMBL8752032 0.92 DGKA (0.57) DGKADNM1PAMPRSS1PRSS2
SCHEMBL8752071 0.92 DGKA (0.57) DGKADNM1PAMPRSS1PRSS2
SCHEMBL22331133 0.92 DGKA (0.57) DGKADNM1PAMPRSS1PRSS2
SCHEMBL8752085 0.92 DGKA (0.57) DGKADNM1PAMPRSS1PRSS2
SCHEMBL5010662 0.89 DGKA (0.38) DGKADNM1HTR2CNAAAMAPT
SCHEMBL29098826 0.88 DGKA (0.40) DGKADNM1PAMPRSS1PRSS2

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-104507990-B9 Silicon-containing hyperbranched polymer and curable composition containing same 日产化学工业株式会社 2017-07-18 CN disclosed