SCHEMBL9056869

SCHEMBL9056869

C=C(CC(=O)OCCOCCCC)C(=O)OCCOCCCC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.43
TSHR P16473 5/20 0.42
DGKA P23743 1/20 0.42
FAAH O00519 1/20 0.39
NAAA Q02083 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RARB P10826 1/20 0.37
HPGD P15428 1/20 0.37
ACHE P22303 1/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX2 P34913 1/20 0.36
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 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
SCHEMBL6519432 0.91 FAAH (0.39) THRBTSHRDGKAFAAHNAAA
SCHEMBL6515076 0.91 DGKA (0.38) THRBTSHRDGKAFAAHNAAA
SCHEMBL194857 0.90 TSHR (0.52) TSHRDGKAFAAHNAAAALDH1A1
SCHEMBL28132099 0.88 TSHR (0.50) TSHRDGKAFAAHNAAAALDH1A1
Hydrochloric Acid SCHEMBL10881989 0.88 TSHR (0.50) TSHRDGKAFAAHNAAAALDH1A1
SCHEMBL6520524 0.87 FAAH (0.46) THRBTSHRDGKAFAAHNAAA
SCHEMBL9056866 0.87 THRB (0.43) THRBTSHRDGKACYP3A4ALDH1A1
SCHEMBL15156040 0.86 TSHR (0.58) TSHRDGKAFAAHNAAAALDH1A1
SCHEMBL28117884 0.86 TSHR (0.58) TSHRDGKAFAAHNAAAALDH1A1
SCHEMBL23306689 0.86 TSHR (0.50) THRBTSHRDGKAFAAHNAAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8277372-A None JP disclosed
JP-H08277372-A COATING COMPOSITION NIPPON OIL & FATS CO LTD 1996-10-22 JP disclosed
US-4463149-A UNSATURATED POLYSILOXANES POLYMER TECHNOLOGY CORPORATION (US) 1984-07-31 US disclosed