SCHEMBL7835265

SCHEMBL7835265

CCCCC(C(=O)O)=C(Nc1ccc(C(=O)OC)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
CASP1 P29466 1/20 0.56
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.50
STAT3 P40763 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 4/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 2/20 0.47
PTPN11 Q06124 1/20 0.47
RECQL P46063 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.45
PTPN1 P18031 1/20 0.45

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
SCHEMBL8328885 0.85 RAB9A (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL7823722 0.83 MEN1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8413634 0.81 RAB9A (0.55) RAB9ANPC1CASP1MEN1KMT2A
SCHEMBL8413632 0.81 RAB9A (0.55) RAB9ANPC1CASP1MEN1KMT2A
SCHEMBL23934179 0.80 RAB9A (0.47) RAB9ANPC1CASP1MEN1KMT2A
SCHEMBL9198473 0.80 MEN1 (0.70) RAB9ANPC1CASP1MEN1KMT2A
SCHEMBL2839586 0.76 MEN1 (0.68) RAB9ANPC1CASP1MEN1KMT2A
SCHEMBL27718015 0.75 NPC1 (0.56) RAB9ANPC1CASP1MEN1KMT2A
SCHEMBL21998667 0.74 MEN1 (0.66) RAB9ANPC1CASP1MEN1KMT2A
SCHEMBL21998749 0.74 MEN1 (0.66) RAB9ANPC1CASP1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498723-B1 Nitrogen containing bicycle compounds, method for their preparation, their use as pharmaceutical and compositions containing them AVENTIS PHARMA SA (FR) 2001-09-19 EP disclosed
EP-0498721-B1 N-substituted quinoline derivatives, process for their preparation, their use as pharmaceuticals and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 1999-12-22 EP disclosed
EP-0498723-A1 Nitrogen containing bicycle compounds, method for their preparation, their use as pharmaceutical and compositions containing them ROUSSEL UCLAF (FR) 1992-08-12 EP disclosed
EP-0498721-A1 N-substituted quinoline derivatives, process for their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1992-08-12 EP disclosed