SCHEMBL1306803

SCHEMBL1306803

COCCNC(=O)C(=Cc1ccc(C(=O)O)c(C)c1)COc1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ TRPM4 Q8TD43 1/20 0.43
▸ POLB P06746 4/20 0.41
▸ G6PD P11413 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MITF O75030 2/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ DAPK1 P53355 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ OGG1 O15527 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL1307248 0.88 LMNA (0.52) HPGDALDH1A1KDM4EPOLBTDP1
SCHEMBL1307250 0.88 LMNA (0.52) HPGDALDH1A1KDM4EPOLBTDP1
SCHEMBL1307100 0.87 PTPN1 (0.45) HPGDALDH1A1POLBMEN1KMT2A
SCHEMBL1307208 0.86 TRPM4 (0.41) HPGDALDH1A1KDM4ETRPM4POLB
SCHEMBL1326044 0.86 TRPM4 (0.41) HPGDALDH1A1KDM4ETRPM4POLB
SCHEMBL1306695 0.86 TRPM4 (0.42) HPGDALDH1A1KDM4ETRPM4POLB
SCHEMBL1306801 0.84 KDM4E (0.47) HPGDALDH1A1KDM4EPOLBTDP1
SCHEMBL1306577 0.84 DRD3 (0.46) KDM4ETRPM4TDP1
SCHEMBL1306672 0.83 P2RX3 (0.47) HPGDALDH1A1KDM4ETDP1MEN1
SCHEMBL1306677 0.83 P2RX3 (0.47) HPGDALDH1A1KDM4ETDP1MEN1

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