SCHEMBL8358385

SCHEMBL8358385

O=C(COc1ccccc1)OCCCn1nncc1C(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.40
PTGDR Q13258 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 4/20 0.38
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36

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
SCHEMBL8351430 0.79 PTGIR (0.45) ALDH1A1MEN1KMT2AGAAPTGDR2
SCHEMBL8354897 0.78 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AGAAPTGDR2
SCHEMBL8354873 0.77 PTGDR2 (0.42) ALDH1A1MEN1KMT2AGAAPTGDR2
SCHEMBL8964950 0.77 PTGDR2 (0.68) PTGDR2PTGDR
SCHEMBL8352068 0.76 PTGIR (0.44) ALDH1A1MEN1KMT2AGAAPTGDR2
SCHEMBL8358363 0.75 PTGIR (0.43) ALDH1A1MEN1KMT2AGAAPTGDR2
SCHEMBL8350938 0.74 PTGIR (0.46) ALDH1A1MEN1KMT2AGAAPTGDR2
SCHEMBL8420559 0.73 KCNA3 (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL13444676 0.73 KCNA3 (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL8356621 0.72 GPR84 (0.44) ALDH1A1MEN1KMT2AGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5935985-A Phenoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
US-5703099-A TREATMENT OF THROMBOSIS, ARTERIOSCLEROSIS, ISCHEMIC HEART DISEASES, GASTRIC ULCER OR HYPERTENSION ONO PHARMACEUTICAL CO., LTD. (JP) 1997-12-30 US disclosed