SCHEMBL1306651

SCHEMBL1306651

COC(=O)c1ccc(/C=C(\COc2cccc3ccccc23)C(=O)NCCCN2CCCCC2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 1/20 0.43
▸ SCN2A Q99250 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ ACKR3 P25106 1/20 0.40
▸ P2RX3 P56373 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ADAMTS4 O75173 1/20 0.39
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39

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
SCHEMBL1307077 0.93 SLC2A1 (0.42) SCN1ASCN2ASCN3ASLC2A1CYP2D6
SCHEMBL1307083 0.93 SLC2A1 (0.42) SCN1ASCN2ASCN3ASLC2A1CYP2D6
SCHEMBL1306574 0.88 TDP1 (0.46) HSD17B10MAPTKDM4E
SCHEMBL1306652 0.87 LMNA (0.43) SCN1ASCN2ASCN3ASLC2A1CYP2D6
SCHEMBL1306254 0.86 P2RX3 (0.60) SLC2A1CYP2D6CYP2C19HSD17B10P2RX3
SCHEMBL1306250 0.86 P2RX3 (0.60) SLC2A1CYP2D6CYP2C19HSD17B10P2RX3
SCHEMBL1306488 0.83 L3MBTL1 (0.48) CYP2C19CYP1A2TSHRHSD17B10LMNA
SCHEMBL1305476 0.83 MAPT (0.49) CYP2D6CYP2C9TSHRLMNAMAPT
SCHEMBL1305646 0.83 LMNA (0.42) SLC2A1CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL1305641 0.83 LMNA (0.42) SLC2A1CYP2D6CYP2C19CYP1A2CYP2C9

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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