SCHEMBL28065382

SCHEMBL28065382

CCCCCCC=C(C)C(=O)OCCCO

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
EP300 Q09472 1/20 0.43
FAAH O00519 3/20 0.42
ACHE P22303 6/20 0.41
NAAA Q02083 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MGLL Q99685 1/20 0.40
CNR2 P34972 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL28065385 0.93 TSHR (0.43) TSHRACHENAAAALDH1A1MGLL
SCHEMBL3326887 0.92 MGLL (0.48) TSHREP300FAAHACHENAAA
SCHEMBL20679736 0.92 ALDH1A1 (0.46) TSHREP300FAAHACHEALDH1A1
SCHEMBL16936123 0.92 TSHR (0.58) TSHREP300FAAHNAAAALDH1A1
SCHEMBL16936121 0.92 TSHR (0.58) TSHREP300FAAHNAAAALDH1A1
SCHEMBL8752883 0.92 TSHR (0.58) TSHREP300FAAHNAAAALDH1A1
SCHEMBL9724670 0.92 TSHR (0.58) TSHREP300FAAHNAAAALDH1A1
SCHEMBL4376995 0.92 TSHR (0.58) TSHREP300FAAHNAAAALDH1A1
SCHEMBL1133210 0.92 TSHR (0.58) TSHREP300FAAHNAAAALDH1A1
SCHEMBL5424452 0.92 TSHR (0.58) TSHREP300FAAHNAAAALDH1A1

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-103732689-B Light-cured type organic inorganic hybridization resin combination DONGJIN SEMICHEM CO.,LTD. (KR) 2016-05-18 CN disclosed