SCHEMBL1307087

SCHEMBL1307087

CCN1CCC(NC(=O)/C(=C/c2ccc(C(=O)OC)cc2)COc2cccc3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.49
▸ KDM4E B2RXH2 4/20 0.43
▸ DRD4 P21917 6/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CCR8 P51685 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PREP P48147 1/20 0.38
▸ DYRK1A Q13627 1/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1306169 0.93 P2RX3 (0.51) P2RX3KDM4EDRD4MEN1MAPT
SCHEMBL1306166 0.93 P2RX3 (0.51) P2RX3KDM4EDRD4MEN1MAPT
SCHEMBL1306472 0.92 P2RX3 (0.59) P2RX3KDM4EDRD4MEN1MAPT
SCHEMBL1306465 0.92 P2RX3 (0.59) P2RX3KDM4EDRD4MEN1MAPT
SCHEMBL1305453 0.91 P2RX3 (0.46) P2RX3KDM4EPREPALDH1A1HPGD
SCHEMBL1306159 0.88 P2RX3 (0.50) P2RX3MEN1MAPTKMT2ATSHR
SCHEMBL1307088 0.86 P2RX3 (0.44) P2RX3KDM4EDRD4MEN1MAPT
SCHEMBL1305888 0.84 P2RX3 (0.48) P2RX3KDM4EMEN1MAPTKMT2A
SCHEMBL1305883 0.84 P2RX3 (0.48) P2RX3KDM4EMEN1MAPTKMT2A
SCHEMBL1307308 0.84 P2RX3 (0.64) P2RX3KDM4EDRD4MEN1MAPT

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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