SCHEMBL8354897

SCHEMBL8354897

O=C(COc1ccccc1)OCCCn1ncc(C(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.42
PTGDR Q13258 1/20 0.41
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 4/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
LMNA P02545 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
MAPT P10636 3/20 0.36
USP2 O75604 2/20 0.36
HPGD P15428 2/20 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 0.81 PTGIR (0.45) ALDH1A1KMT2AMEN1GAAPTGDR2
SCHEMBL8354873 0.79 PTGDR2 (0.42) ALDH1A1KMT2AMEN1GAAPTGDR2
SCHEMBL8965345 0.78 PTGDR2 (0.69) PTGDR2PTGDR
SCHEMBL8352068 0.78 PTGIR (0.44) ALDH1A1KMT2AMEN1GAAPTGDR2
SCHEMBL8358385 0.78 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1GAAPTGDR2
SCHEMBL8358363 0.77 PTGIR (0.43) ALDH1A1KMT2AMEN1GAAPTGDR2
SCHEMBL8354896 0.76 PPARG (0.42) PTGDR2PTGDR
SCHEMBL8350938 0.76 PTGIR (0.46) ALDH1A1KMT2AMEN1GAAPTGDR2
SCHEMBL8420559 0.73 KCNA3 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL13444676 0.73 KCNA3 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1

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