SCHEMBL28156842

SCHEMBL28156842

CCCOC(=O)c1cc2ccccc2n1CC(O)C(=O)OCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 4/20 0.51
▸ NOD1 Q9Y239 4/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ F10 P00742 3/20 0.46
▸ SRC P12931 1/20 0.46
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ GALR3 O60755 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL28846115 0.81 MTNR1A (0.56) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL28846084 0.80 NOD2 (0.45) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL28156800 0.79 KMT2A (0.46) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL28156129 0.78 KMT2A (0.46) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL3259707 0.73 NOD2 (0.71) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL28669136 0.72 NOD2 (0.70) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL11688236 0.72 L3MBTL1 (0.56) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL6752352 0.70 KDM4E (0.71) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL7425465 0.70 MEN1 (0.79) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL16201674 0.70 MEN1 (0.74) NOD2NOD1MEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106831533-A A kind of synthetic method of tryptophol and tryptamines analog derivative 北京大学 2017-06-13 — — CN disclosed
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