SCHEMBL1306999

SCHEMBL1306999

COC(=O)CCCC/C=C(\COc1cccc2ccccc12)C(=O)NC1CCN(CC2CCCCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.39
▸ PLA2G2A P14555 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.39
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CNR2 P34972 2/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ KDM2B Q8NHM5 5/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PREP P48147 2/20 0.36
▸ CCR1 P32246 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ SLC6A1 P30531 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
SCHEMBL1307000 1.00 P2RX3 (0.39) P2RX3PLA2G2AADAMTS4ADAMTS5MEN1
SCHEMBL1306621 0.92 P2RX3 (0.42) P2RX3PLA2G2AADAMTS4ADAMTS5MEN1
SCHEMBL1306629 0.92 P2RX3 (0.42) P2RX3PLA2G2AADAMTS4ADAMTS5MEN1
SCHEMBL1306290 0.91 P2RX3 (0.42) P2RX3ADAMTS4ADAMTS5MEN1KMT2A
SCHEMBL29488466 0.91 P2RX3 (0.42) P2RX3ADAMTS4ADAMTS5MEN1KMT2A
SCHEMBL1306288 0.91 P2RX3 (0.42) P2RX3ADAMTS4ADAMTS5MEN1KMT2A
SCHEMBL1307082 0.90 P2RX3 (0.42) P2RX3CNR2DRD4ALDH1A1PREP
SCHEMBL1307079 0.90 P2RX3 (0.42) P2RX3CNR2DRD4ALDH1A1PREP
SCHEMBL1307946 0.88 P2RX3 (0.52) P2RX3DRD4
SCHEMBL1307948 0.88 P2RX3 (0.52) P2RX3DRD4

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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