SCHEMBL4157068

SCHEMBL4157068

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.46
CES1 P23141 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FAAH O00519 1/20 0.43
MAPK1 P28482 1/20 0.43
THRB P10828 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
GPR84 Q9NQS5 6/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL23357834 0.83 FNTA (0.58) CES2CES1MEN1KMT2ATHRB
SCHEMBL26079385 0.76 CES2 (0.42) CES2CES1LMNAMEN1KMT2A
SCHEMBL3766819 0.75 FNTA (0.47) CES2CES1MEN1KMT2ATHRB
SCHEMBL5968493 0.73 CES2 (0.46) CES2CES1LMNAMEN1KMT2A
SCHEMBL14477972 0.69 CES2 (0.64) CES2CES1MEN1KMT2AFAAH
SCHEMBL23950441 0.69 CES2 (0.64) CES2CES1MEN1KMT2AFAAH
SCHEMBL23950236 0.69 CES2 (0.64) CES2CES1MEN1KMT2AFAAH
SCHEMBL21448801 0.69 CES2 (0.64) CES2CES1MEN1KMT2AFAAH
SCHEMBL8773299 0.69 CES2 (0.64) CES2CES1MEN1KMT2AFAAH
SCHEMBL1604484 0.69 CES2 (0.64) CES2CES1MEN1KMT2AFAAH

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-20090250588-A1 Nanostructured Surfaces for Biomedical/Biomaterial Applications and Processes Thereof LIQUIDIA TECHNOLOGIES, INC. (US) 2009-10-08 US claimed
US-20090250588-A1 Nanostructured Surfaces for Biomedical/Biomaterial Applications and Processes Thereof LIQUIDIA TECHNOLOGIES, INC. (US) 2009-10-08 US disclosed