SCHEMBL5134496

SCHEMBL5134496

CCc1c(OC(=O)O)ccc(OC(=O)O)c1OC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 3/20 0.40
PTPN1 P18031 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.31
TSHR P16473 2/20 0.31
CFD P00746 2/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX15 P16050 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1838033 0.81 NCEH1 (0.40) NCEH1ALDH1A1KDM4EKMT2ATSHR
SCHEMBL1836454 0.79 NCEH1 (0.39) NCEH1PTPN1SMN1; SMN2TSHRRAB9A
SCHEMBL1039198 0.79 MAPK1 (0.36) PTPN1MAPK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28226833 0.77 NCEH1 (0.37) NCEH1ALDH1A1KDM4ETSHRGAA
SCHEMBL1836388 0.76 GABRA1 (0.42) NCEH1KDM4EGLAL3MBTL1MAPT
SCHEMBL1840388 0.75 NCEH1 (0.38) NCEH1PTPN1KMT2ATSHRHSD17B10
SCHEMBL48020 0.74 SLC22A12 (0.40) NCEH1PTPN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5589787 0.74 GABRA1 (0.36) NCEH1KMT2ATSHRHSD17B10MAPT
SCHEMBL982414 0.74 PTPN1 (0.37) NCEH1PTPN1MAPK1ALDH1A1KDM4E
SCHEMBL1842127 0.73 FFAR4 (0.38) PTPN1MAPK1ALDH1A1KDM4EKMT2A

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-1888817-A2 METHOD FOR PRODUCING POROUS METAL-ORGANIC FRAMEWORK MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP disclosed
WO-2006125761-A2 METHOD FOR PRODUCING POROUS METAL-ORGANIC FRAMEWORK MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed