SCHEMBL8413632

SCHEMBL8413632

CCCC/C(C(=O)OCC)=C(/Nc1ccc(C(=O)OC)cc1)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
NPC1 O15118 1/20 0.55
CASP1 P29466 1/20 0.55
GAA P10253 3/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 2/20 0.47
STAT3 P40763 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CASP3 P42574 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL8413634 1.00 RAB9A (0.55) RAB9ANPC1CASP1GAAKMT2A
SCHEMBL8410515 0.86 RAB9A (0.55) RAB9ANPC1KMT2ALMNAHPGD
SCHEMBL8410518 0.86 RAB9A (0.55) RAB9ANPC1KMT2ALMNAHPGD
SCHEMBL8410078 0.84 ALDH1A1 (0.47) RAB9ANPC1GAAKMT2AMEN1
SCHEMBL8410081 0.84 ALDH1A1 (0.47) RAB9ANPC1GAAKMT2AMEN1
SCHEMBL7835265 0.81 RAB9A (0.56) RAB9ANPC1CASP1GAAKMT2A
SCHEMBL9198473 0.77 MEN1 (0.70) RAB9ANPC1CASP1GAAKMT2A
SCHEMBL8501792 0.74 MEN1 (0.51) RAB9ANPC1GAAKMT2AMEN1
SCHEMBL8410470 0.74 MEN1 (0.51) RAB9ANPC1GAAKMT2AMEN1
SCHEMBL5636399 0.73 RAB9A (0.72) RAB9ANPC1CASP1GAAKMT2A

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
US-5985894-A USEFUL IN THE TREATMENT OF CARDIOVASCULAR ILLNESSES HOECHST MARION ROUSSEL (FR) 1999-11-16 US disclosed