SCHEMBL19490630

SCHEMBL19490630

NC(C=O)CCC(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ KMT2A Q03164 4/20 0.42
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SLC1A3 P43003 1/20 0.39
▸ ELANE P08246 1/20 0.37
▸ TRAP1 Q12931 1/20 0.37
▸ LTA4H P09960 2/20 0.37
▸ RAD51 Q06609 1/20 0.36
▸ ASAH1 Q13510 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
SCHEMBL1810781 0.80 LTA4H (0.55) PRSS1PRSS2PRSS3KMT2AALDH1A1
SCHEMBL8064264 0.80 LTA4H (0.55) PRSS1PRSS2PRSS3KMT2AALDH1A1
SCHEMBL1810782 0.79 PRSS1 (0.47) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL17210678 0.78 ALDH1A1 (0.51) KMT2AALDH1A1LMNASLC1A3
SCHEMBL27949535 0.77 PRSS1 (0.46) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL43742 0.76 KMT2A (0.61) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL22308234 0.76 KMT2A (0.41) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL28497163 0.76 PRSS1 (0.44) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL29165380 0.76 PRSS1 (0.46) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL666850 0.76 ALDH1A1 (0.48) PRSS1PRSS2PRSS3KMT2AEGFR

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-9795563-B2 Particulate pharmaceutical composition NANOCARRIER CO., LTD. (JP) 2017-10-24 — — US disclosed
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