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Sugi Predict / Compounds / SCHEMBL9416219

SCHEMBL9416219

SCHEMBL9416219

CCCCN(CCCC)c1ccc(C2(C=C(c3c(C)n(CC)c4ccccc34)c3c(C)n(CC)c4ccccc34)OC(=O)c3ccccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 16/20 0.34
▸ CNR1 P21554 8/20 0.34
▸ SLC6A3 Q01959 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AR P10275 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ PLA2G2A P14555 1/20 0.32

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
SCHEMBL29386399 0.91 ALDH1A1 (0.34) CNR2CNR1MEN1ALDH1A1MAPT
SCHEMBL25608 0.91 ALDH1A1 (0.34) CNR2CNR1MEN1ALDH1A1MAPT
SCHEMBL9416197 0.89 ALDH1A1 (0.34) CNR2CNR1MEN1ALDH1A1MAPT
SCHEMBL9416205 0.88 CNR2 (0.41) CNR2CNR1SLC6A3
SCHEMBL20383173 0.87 ALDH1A1 (0.32) CNR2CNR1MEN1ALDH1A1MAPT
SCHEMBL9416218 0.87 CNR2 (0.43) CNR2CNR1SLC6A3
SCHEMBL7479433 0.86 SRD5A1 (0.33) CNR2CNR1MEN1ALDH1A1MAPT
SCHEMBL9416215 0.86 KDM4E (0.33) CNR2CNR1MEN1ALDH1A1MAPT
SCHEMBL7473925 0.86 PLA2G2A (0.37) CNR2CNR1SLC6A3ALDH1A1KDM4E
SCHEMBL7477171 0.86 CNR2 (0.32) CNR2CNR1SLC6A3MEN1ALDH1A1

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
EP-0581589-A2 Phthalide compounds, and recording materials using the compounds YAMAMOTO CHEMICALS, INC. (JP) 1994-02-02 — — EP disclosed