SCHEMBL6738111

SCHEMBL6738111

CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EGLN1 Q9GZT9 1/20 0.34
ACLY P53396 2/20 0.33
PIN1 Q13526 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
PKM P14618 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32
HDAC4 P56524 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL6738109 0.86 GAA (0.39) POLBNPSR1ALDH1A1TSHRPKM
SCHEMBL27186828 0.84 ALDH1A1 (0.43) POLBNPSR1PIN1ALDH1A1PKM
SCHEMBL6740413 0.83 TSHR (0.36) POLBNPSR1EGLN1PIN1ALDH1A1
SCHEMBL8166839 0.82 ALDH1A1 (0.42) POLBNPSR1PIN1ALDH1A1PKM
SCHEMBL8165793 0.82 ALDH1A1 (0.42) POLBNPSR1PIN1ALDH1A1PKM
SCHEMBL4007477 0.80 ALDH1A1 (0.43) POLBNPSR1PIN1ALDH1A1PKM
SCHEMBL8428202 0.80 TSHR (0.33) POLBNPSR1ALDH1A1TSHRPKM
SCHEMBL2050077 0.79 CA1 (0.43) POLBNPSR1ALDH1A1TSHRPKM
SCHEMBL3861059 0.77 THRB (0.46) POLBNPSR1ALDH1A1TSHRPKM
SCHEMBL197278 0.77 THRB (0.46) POLBNPSR1ALDH1A1TSHRPKM

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-6689917-B2 Process for the preparation of perfluoroalkanones DAIKIN INDUSTRIES, LTD. (JP) 2004-02-10 US disclosed
US-20030144557-A1 Process for the preparation of perfluoroalkanones DAIKIN INDUSTRIES, LTD. (JP) 2003-07-31 US disclosed