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SCHEMBL9068448

SCHEMBL9068448

CCC(C)OC(=O)CC(=O)CCCCC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.47
▸ EPHX2 P34913 6/20 0.46
▸ FAAH O00519 4/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL17734102 0.89 TSHR (0.54) TSHREPHX2LMNAALDH1A1L3MBTL1
SCHEMBL14064967 0.85 TSHR (0.60) TSHREPHX2FAAHCNR1CNR2
SCHEMBL4476244 0.85 FAAH (0.45) TSHREPHX2FAAHCNR1CNR2
SCHEMBL7911534 0.84 LMNA (0.53) TSHREPHX2LMNAALDH1A1L3MBTL1
SCHEMBL5928921 0.83 TSHR (0.46) TSHREPHX2FAAHCNR1CNR2
SCHEMBL16012441 0.82 TSHR (0.42) TSHREPHX2FAAHCNR1CNR2
SCHEMBL16012498 0.82 TSHR (0.42) TSHREPHX2FAAHCNR1CNR2
SCHEMBL27978988 0.82 FAAH (0.47) TSHREPHX2FAAHCNR1CNR2
SCHEMBL19821825 0.81 TSHR (0.56) TSHREPHX2FAAHCNR1CNR2
SCHEMBL10554751 0.81 LMNA (0.57) TSHREPHX2LMNAALDH1A1

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-5530143-A REDUCTION OF (3S)-3-HYDROXYOCTANEDIOIC DIESTER WITH COMPLEX HYDRIDE BASF AKTIENGESELLSCHAFT (DE) 1996-06-25 — — US disclosed