SCHEMBL30801440

SCHEMBL30801440

CC(C)COC(=O)CCCCC(=O)OC1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ EPHX2 P34913 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ EPHX1 P07099 1/20 0.39
▸ CYP19A1 P11511 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RAB9A P51151 1/20 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
SCHEMBL17675641 0.83 NAAA (0.79) NAAASMN1; SMN2EPHX2HTTCYP2C19
SCHEMBL207867 0.83 NAAA (0.79) NAAASMN1; SMN2EPHX2HTTCYP2C19
SCHEMBL27594966 0.82 NAAA (0.65) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL17909519 0.82 NAAA (0.55) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL27622660 0.82 NAAA (0.48) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL17909418 0.82 NAAA (0.55) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL1681692 0.81 NAAA (0.82) NAAASMN1; SMN2EPHX2HTTCYP2C19
SCHEMBL15987690 0.81 NAAA (0.82) NAAASMN1; SMN2EPHX2HTTCYP2C19
SCHEMBL31069919 0.81 NAAA (0.82) NAAASMN1; SMN2EPHX2HTTCYP2C19
SCHEMBL525240 0.81 NAAA (0.82) NAAASMN1; SMN2EPHX2HTTCYP2C19

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-20240084343-A1 METHODS OF USING NATURAL AND ENGINEERED ORGANISMS TO PRODUCE SMALL MOLECULES FOR INDUSTRIAL APPLICATION KIVERDI INC (US) 2024-03-14 — — US disclosed
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