SCHEMBL1308082

SCHEMBL1308082

CC(CCCC=C(COc1cccc2ccccc12)C(=O)NC1CCN(C2CCCC2)CC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ PREP P48147 2/20 0.37
▸ SIGMAR1 Q99720 3/20 0.37
▸ P2RX3 P56373 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ADAMTS4 O75173 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ CASP3 P42574 3/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ CASP7 P55210 2/20 0.35
▸ CASP8 Q14790 2/20 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
SCHEMBL1306843 0.97 KMT2A (0.37) KMT2AMEN1ALDH1A1PREPP2RX3
SCHEMBL1308301 0.91 KMT2A (0.48) KMT2AMEN1ALDH1A1P2RX3KDM4E
SCHEMBL1306858 0.90 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1PREPP2RX3
SCHEMBL1307235 0.89 P2RX3 (0.40) KMT2AMEN1ALDH1A1SIGMAR1P2RX3
SCHEMBL1306121 0.87 KMT2A (0.37) KMT2AMEN1ALDH1A1PREPP2RX3
SCHEMBL1306825 0.87 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1PREPSIGMAR1
SCHEMBL1306829 0.87 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1PREPSIGMAR1
SCHEMBL1307084 0.87 P2RX3 (0.41) KMT2AMEN1ALDH1A1PREPP2RX3
SCHEMBL1307002 0.86 MEN1 (0.40) KMT2AMEN1ALDH1A1PREPP2RX3
SCHEMBL1307273 0.86 MEN1 (0.40) KMT2AMEN1ALDH1A1PREPP2RX3

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
Send feedback