SCHEMBL8410078

SCHEMBL8410078

CCCC/C(C(=O)OCC)=C(/Nc1ccccc1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
EPHX1 P07099 3/20 0.43
HTT P42858 1/20 0.43
CYP19A1 P11511 2/20 0.43
ICMT O60725 1/20 0.43
ALB P02768 1/20 0.43
SOAT2 O75908 1/20 0.43
SOAT1 P35610 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
CRHBP P24387 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL8410081 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL8413632 0.84 RAB9A (0.55) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL8413634 0.84 RAB9A (0.55) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL13381411 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL8410518 0.83 RAB9A (0.55) ALDH1A1SMN1; SMN2KMT2AMAPTNPSR1
SCHEMBL8410515 0.83 RAB9A (0.55) ALDH1A1SMN1; SMN2KMT2AMAPTNPSR1
SCHEMBL8410470 0.83 MEN1 (0.51) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL8501792 0.83 MEN1 (0.51) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL8413637 0.82 CETP (0.42) ALDH1A1GAAMEN1KMT2ATDP1
SCHEMBL8413639 0.82 CETP (0.42) ALDH1A1GAAMEN1KMT2ATDP1

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 3 patents. 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
US-5478938-A Antagonists for angiotensin II receptors; hypotensive, cardiotonic agents; cognitive activators ROUSSEL UCLAF (FR) 1995-12-26 US disclosed
US-5324839-A Hypotensive agents, gastrointestinal and urogenital disorders ROUSSEL-UCLAF (FR) 1994-06-28 US disclosed