SCHEMBL14456208

SCHEMBL14456208

CCCCCCCCCCCCOC(=O)C(=CC=CN(CC)CC)C(=O)OCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.46
▸ NAAA Q02083 1/20 0.42
▸ HCAR2 Q8TDS4 2/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ACHE P22303 6/20 0.36

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
SCHEMBL13609919 0.86 ALDH1A1 (0.44) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL12294059 0.85 TSHR (0.44) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL12292491 0.85 TSHR (0.44) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL12292487 0.85 TSHR (0.44) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL12292861 0.82 MEN1 (0.41) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL13609916 0.82 MEN1 (0.41) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL12294062 0.82 MEN1 (0.41) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL14261087 0.82 MEN1 (0.41) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL12382057 0.82 TSHR (0.41) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL12292872 0.82 MEN1 (0.41) TSHRNAAAHCAR2RAD52NPSR1

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
US-7244859-B2 Method for producing δ-aminopentadienoate derivatives FUJIFILM CORPORATION (JP) 2007-07-17 — — US disclosed
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