SCHEMBL20544190

SCHEMBL20544190

CCCCC(C)C(=O)OCC(C)CCC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.40
TSHR P16473 3/20 0.40
CYP3A4 P08684 2/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.37
FAAH O00519 1/20 0.37
FDPS P14324 1/20 0.36
RECQL P46063 1/20 0.36
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL29270013 0.94 CA1 (0.50) CA1ACE2MAPTFAAHFDPS
SCHEMBL29270028 0.93 ACE2 (0.49) CA1ACE2MAPTFAAHFDPS
SCHEMBL29270086 0.93 ACE2 (0.49) CA1ACE2MAPTFAAHFDPS
SCHEMBL29269976 0.93 ACE2 (0.49) CA1ACE2MAPTFAAHFDPS
SCHEMBL29270070 0.93 ACE2 (0.49) CA1ACE2MAPTFAAHFDPS
SCHEMBL2012383 0.90 TSHR (0.41) CA1CA2TSHRCYP3A4ATM
SCHEMBL17240700 0.89 MAPT (0.45) CA1CA2TSHRCYP3A4ATM
SCHEMBL7217071 0.87 BLM (0.50) CA1CA2TSHRCYP3A4ATM
SCHEMBL28603317 0.87 ACE2 (0.55) CA1ACE2MAPTFAAHFDPS
SCHEMBL7224114 0.84 CA1 (0.45) CA1CA2TSHRCYP3A4ATM

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
EP-3394014-A1 METHOD FOR PRODUCING AND PURIFYING 2,3,3,3-TETRAFLUORO-1-PROPENE Arkema France (FR) 2018-10-31 EP disclosed