SCHEMBL8354873

SCHEMBL8354873

O=C(COc1ccccc1)OCCCn1cc(C(c2ccccc2)c2ccccc2)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.42
KDM6B O15054 1/20 0.41
KDM5C P41229 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
PTGDR Q13258 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
POLB P06746 2/20 0.39
APEX1 P27695 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 3/20 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

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 0.82 PTGIR (0.45) PTGDR2KDM4EALDH1A1MEN1GAA
SCHEMBL8352068 0.79 PTGIR (0.44) PTGDR2KDM4EALDH1A1MEN1GAA
SCHEMBL8354897 0.79 ALDH1A1 (0.42) PTGDR2PTGDRKDM4EALDH1A1MEN1
SCHEMBL8358363 0.78 PTGIR (0.43) PTGDR2KDM4EALDH1A1MEN1GAA
SCHEMBL8965332 0.77 PTGDR2 (0.69) PTGDR2PTGDR
SCHEMBL8358385 0.77 ALDH1A1 (0.42) PTGDR2PTGDRKDM4EALDH1A1MEN1
SCHEMBL8354870 0.76 PTGDR2 (0.41) PTGDR2PTGDR
SCHEMBL8350938 0.75 PTGIR (0.46) PTGDR2KDM4EALDH1A1MEN1GAA
SCHEMBL8350737 0.74 PTGDR2 (0.39) PTGDR2PTGDRALDH1A1MEN1GAA
SCHEMBL8420559 0.72 KCNA3 (0.61) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2

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