SCHEMBL28248578

SCHEMBL28248578

COC(OC)(OC(=O)NC1CCCCC1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ EPHX1 P07099 4/20 0.47
▸ FAAH O00519 2/20 0.47
▸ LHCGR P22888 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ EPHX2 P34913 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
Enpromate SCHEMBL4811 0.77 RAB9A (0.54) RAB9AALDH1A1EPHX1FAAHLHCGR
SCHEMBL4812 0.77 RAB9A (0.54) RAB9AALDH1A1EPHX1FAAHLHCGR
SCHEMBL27768044 0.76 ALDH1A1 (0.49) RAB9AALDH1A1EPHX1FAAHEPHX2
Phenylacetic Acid SCHEMBL27770065 0.72 EPHX2 (0.59) RAB9AALDH1A1EPHX1EPHX2SMN1; SMN2
Sulfurous Acid SCHEMBL27768224 0.72 ALDH1A1 (0.45) RAB9AALDH1A1EPHX1FAAHEPHX2
SCHEMBL6928586 0.72 HDAC3 (0.54) RAB9AALDH1A1EPHX1PKMEPHX2
SCHEMBL13348713 0.72 EPHX1 (0.51) RAB9AALDH1A1EPHX1PKMEPHX2
SCHEMBL10335689 0.71 ALDH1A1 (0.43) RAB9AALDH1A1EPHX1FAAHPKM
SCHEMBL2341249 0.71 CES1 (0.48) ALDH1A1
Sulfurous Acid SCHEMBL27768182 0.71 ALDH1A1 (0.44) RAB9AALDH1A1EPHX1FAAHEPHX2

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-105829485-B Photocurable composition with adhesiveness 思美定株式会社 2018-10-12 — — CN disclosed
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