SCHEMBL5779953

SCHEMBL5779953

O=Cc1ccc(I)c(CCNC(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.34
PLA2G2A P14555 3/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
ALDH1A1 P00352 2/20 0.33
UNG P13051 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGS2 P35354 1/20 0.33
RAB9A P51151 1/20 0.33
MMP1 P03956 3/20 0.32
MMP2 P08253 3/20 0.32
MMP9 P14780 3/20 0.32
ARG1 P05089 1/20 0.32
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
MAOB P27338 1/20 0.31
HTR2C P28335 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
SCHEMBL5778185 0.88 MMP1 (0.34) LTA4HPLA2G2AMTNR1AMTNR1BALDH1A1
SCHEMBL5774639 0.79 HPGD (0.47) ALDH1A1KDM4E
SCHEMBL5779417 0.75 SETDB1 (0.42) RAB9A
SCHEMBL1935713 0.74 MMP1 (0.46) ALDH1A1KDM4ERAB9AMMP1MMP2
SCHEMBL28808632 0.74 ALDH1A1 (0.35) ALDH1A1KDM4EPTGS2RAB9APOLB
SCHEMBL322186 0.74 CYP1A2 (0.49) LTA4HPLA2G2AMTNR1AMTNR1BRAB9A
SCHEMBL2635612 0.72 MMP1 (0.49) MTNR1AMTNR1BALDH1A1UNGRAB9A
SCHEMBL5912980 0.71 MEN1 (0.36) ALDH1A1POLB
SCHEMBL5779948 0.70 ALDH1A1 (0.33) ALDH1A1UNGKDM4EPTGS2RAB9A
SCHEMBL5912978 0.70 POLB (0.33) ALDH1A1MMP1MMP2MMP9POLB

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-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed