SCHEMBL1307270

SCHEMBL1307270

COC(=O)CCCC/C=C(\COc1cccc2ccccc12)C(=O)NC1CCN(C(=O)C2CCCCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.37
▸ PREP P48147 2/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CNR2 P34972 2/20 0.36
▸ SLC6A1 P30531 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ADAMTS4 O75173 1/20 0.36
▸ ADAMTS5 Q9UNA0 1/20 0.36
▸ P2RX3 P56373 1/20 0.35

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
SCHEMBL1307271 1.00 CNR1 (0.37) CNR1PREPMEN1KMT2ACNR2
SCHEMBL1307286 0.92 ALDH1A1 (0.39) CNR1PREPMEN1KMT2ASLC6A1
SCHEMBL1307290 0.92 ALDH1A1 (0.39) CNR1PREPMEN1KMT2ASLC6A1
SCHEMBL1306400 0.91 PREP (0.39) CNR1PREPMEN1KMT2ASLC6A1
SCHEMBL1306403 0.91 PREP (0.39) CNR1PREPMEN1KMT2ASLC6A1
SCHEMBL29488473 0.91 PREP (0.39) CNR1PREPMEN1KMT2ASLC6A1
SCHEMBL2895878 0.90 ALDH1A1 (0.39) CNR1PREPMEN1KMT2ACNR2
SCHEMBL2895879 0.90 ALDH1A1 (0.39) CNR1PREPMEN1KMT2ACNR2
SCHEMBL1307273 0.87 MEN1 (0.40) CNR1PREPMEN1KMT2ASLC6A1
SCHEMBL1308296 0.87 MEN1 (0.45) CNR1MEN1KMT2ACNR2ALDH1A1

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-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 — — US disclosed
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