SCHEMBL5334547

SCHEMBL5334547

CCCON(OCCC)c1ccc(C)cc1.Cc1ccc(N(CC(C)O)CC(C)O)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 4/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 3/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CNR2 P34972 2/20 0.31
GAA P10253 2/20 0.31
POLB P06746 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL6341579 0.82 ALDH1A1 (0.41) CYP2C19MAPTLMNAALDH1A1HTT
SCHEMBL83496 0.82 CYP2C19 (0.44) MMP2MMP9MEN1KMT2ACYP2C19
SCHEMBL21888842 0.75 CYP2C19 (0.36) MMP2MMP9MEN1KMT2ACYP2C19
SCHEMBL2895464 0.74 ACHE (0.46) MEN1KMT2ACYP2C19MAPTLMNA
SCHEMBL17800251 0.73 CRHBP (0.41) MMP2MMP9MEN1KMT2ACYP2C19
SCHEMBL18180595 0.73 CYP2C19 (0.34) MMP2MMP9MEN1KMT2ACYP2C19
SCHEMBL8632565 0.71 MAPT (0.39) MMP2MMP9MEN1KMT2ACYP2C19
SCHEMBL11562906 0.71 KDM4E (0.38) MEN1KMT2ACYP2C19MAPTLMNA
SCHEMBL80211 0.70 ALDH1A1 (0.39) CYP2C19MAPTLMNAALDH1A1KDM4E
SCHEMBL27537194 0.70 LTA4H (0.46) MEN1KMT2ACYP2C19MAPTLMNA

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
EP-1587893-B1 MAT POLYMERIZATION GLUE ROEHM GMBH (DE) 2007-10-03 EP disclosed