SCHEMBL3125993

SCHEMBL3125993

O=CCCCCCCCC=CCCCCCCCCNC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.54
ACE P12821 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ITGB2 P05107 3/20 0.49
ICAM1 P05362 3/20 0.49
ITGAL P20701 3/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ECE1 P42892 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
APAF1 O14727 1/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.48
MPO P05164 1/20 0.48

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
SCHEMBL11588634 0.91 ALOX15 (0.56) ALOX15ACEMEN1KMT2AITGB2
SCHEMBL28378277 0.91 ALOX15 (0.56) ALOX15ACEMEN1KMT2AITGB2
SCHEMBL11588631 0.91 ALOX15 (0.56) ALOX15ACEMEN1KMT2AITGB2
SCHEMBL2185643 0.87 MMP2 (0.51) ALOX15MEN1KMT2AMMP2SMN1; SMN2
SCHEMBL7766716 0.84 NMBR (0.62) ALOX15ACEMEN1KMT2AITGB2
SCHEMBL6244061 0.84 MEN1 (0.62) ALOX15ACEMEN1KMT2AITGB2
SCHEMBL8384762 0.84 MEN1 (0.62) ALOX15ACEMEN1KMT2AITGB2
SCHEMBL6245123 0.84 MEN1 (0.62) ALOX15ACEMEN1KMT2AITGB2
SCHEMBL6244059 0.84 MEN1 (0.62) ALOX15ACEMEN1KMT2AITGB2
SCHEMBL8384759 0.84 MEN1 (0.62) ALOX15ACEMEN1KMT2AITGB2

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
WO-2010039801-A2 METHODS OF TREATING HEPATITIS C VIRUS INFECTION THE J. DAVID GLADSTONE INSTITUTES (US) 2010-04-08 WO disclosed