SCHEMBL7867705

SCHEMBL7867705

COCCOCOc1c(C)ccc(C(=O)OC)c1OCCOC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
RARG P13631 1/20 0.36
KDM4E B2RXH2 3/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.35
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL6479592 0.78 KDM4E (0.39) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6043188 0.76 HDAC3 (0.59) MAPTL3MBTL1HDAC3HDAC4HDAC1
SCHEMBL7867709 0.76 RARG (0.37) TDP1RARGKDM4ETSHRPTPN1
SCHEMBL1496808 0.76 ALDH1A1 (0.50) MAPTL3MBTL1HDAC3HDAC4HDAC1
SCHEMBL16016038 0.73 TSHR (0.41) MAPTL3MBTL1KDM4ETSHRRAB9A
SCHEMBL12329804 0.72 KDM4E (0.38) MAPTKDM4ETSHRALDH1A1GAA
SCHEMBL1496779 0.72 ALDH1A1 (0.48) MAPTL3MBTL1KDM4ETSHRRAB9A
SCHEMBL5837433 0.71 PTPN1 (0.44) MAPTTDP1L3MBTL1HDAC3HDAC4
SCHEMBL16035002 0.70 HDAC3 (0.38) MAPTTDP1L3MBTL1HDAC3HDAC4
SCHEMBL1050558 0.70 ALDH1A1 (0.49) MAPTTDP1L3MBTL1KDM4ETSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 WO disclosed