SCHEMBL5864543

SCHEMBL5864543

C=C(CCCCCCCCCCC)C(=O)O.CC(=CC1CC2CCC1(C)C2(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.42
LMNA P02545 5/20 0.36
HTT P42858 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PLA2G1B P04054 1/20 0.36
MAPK1 P28482 1/20 0.36
RAD52 P43351 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
THRB P10828 1/20 0.33
PGGT1B P53609 1/20 0.33
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 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
SCHEMBL2531554 1.00 EPHX2 (0.42) EPHX2LMNAHTTNPSR1MAPT
SCHEMBL5922012 0.85 EPHX2 (0.34) EPHX2LMNAHTTNPSR1MAPT
SCHEMBL3778927 0.84 ALDH1A1 (0.32) EPHX2LMNAHTTNPSR1MEN1
SCHEMBL8157774 0.83 MEN1 (0.35) EPHX2LMNAHTTNPSR1MEN1
SCHEMBL9364485 0.83 ALDH1A1 (0.33) EPHX2LMNAHTTNPSR1MEN1
SCHEMBL901494 0.83 EPHX2 (0.39) EPHX2LMNAHTTNPSR1MAPT
SCHEMBL2029635 0.82 KMT2A (0.39) EPHX2LMNAHTTNPSR1MAPT
SCHEMBL21799353 0.82 KMT2A (0.39) EPHX2LMNAHTTNPSR1MAPT
SCHEMBL20357288 0.82 KMT2A (0.39) EPHX2LMNAHTTNPSR1MAPT
SCHEMBL26529 0.82 KMT2A (0.39) EPHX2LMNAHTTNPSR1MAPT

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
US-7138139-B2 Tablet coating ROHM AND HAAS COMPANY (US) 2006-11-21 US disclosed
US-20040121934-A1 Polymeric detergent additives DOUGHERTY RICHARD CHARLES (US) 2004-06-24 US disclosed