SCHEMBL1307002

SCHEMBL1307002

CC(CCCC=C(COc1cccc2ccccc12)C(=O)NC1CCN(CC2CCCCC2)C1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ P2RX3 P56373 1/20 0.39
▸ CCR1 P32246 2/20 0.39
▸ ADAMTS4 O75173 1/20 0.38
▸ ADAMTS5 Q9UNA0 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ KDM2B Q8NHM5 3/20 0.37
▸ DRD4 P21917 5/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ CHRM2 P08172 5/20 0.35
▸ CHRM1 P11229 5/20 0.35
▸ CHRM3 P20309 5/20 0.35
▸ PREP P48147 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
SCHEMBL1307084 0.90 P2RX3 (0.41) MEN1KMT2AP2RX3ALDH1A1DRD4
SCHEMBL1306629 0.89 P2RX3 (0.42) MEN1KMT2AP2RX3CCR1ADAMTS4
SCHEMBL1307949 0.89 P2RX3 (0.50) P2RX3DRD4DRD2
SCHEMBL1306621 0.89 P2RX3 (0.42) MEN1KMT2AP2RX3CCR1ADAMTS4
SCHEMBL1308301 0.88 KMT2A (0.48) MEN1KMT2AP2RX3ADAMTS4ADAMTS5
SCHEMBL1307235 0.88 P2RX3 (0.40) MEN1KMT2AP2RX3ALDH1A1DRD4
SCHEMBL1306999 0.87 P2RX3 (0.39) MEN1KMT2AP2RX3CCR1ADAMTS4
SCHEMBL1307000 0.87 P2RX3 (0.39) MEN1KMT2AP2RX3CCR1ADAMTS4
SCHEMBL1307273 0.87 MEN1 (0.40) MEN1KMT2AP2RX3ADAMTS4ADAMTS5
SCHEMBL1308082 0.86 KMT2A (0.40) MEN1KMT2AP2RX3ADAMTS4ADAMTS5

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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