SCHEMBL28280189

SCHEMBL28280189

CCOC(=O)c1cccc(CCCN)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.76
▸ CYP4A11 Q02928 3/20 0.76
▸ MEP1B Q16820 1/20 0.52
▸ CA2 P00918 2/20 0.52
▸ LOXL2 Q9Y4K0 1/20 0.51
▸ MAPT P10636 2/20 0.51
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ DHODH Q02127 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46

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
SCHEMBL6873612 0.91 CYP4F2 (0.71) CYP4F2CYP4A11MEP1BCA2LOXL2
Hydrochloric Acid SCHEMBL11576713 0.90 CYP4F2 (0.69) CYP4F2CYP4A11MEP1BCA2LOXL2
SCHEMBL1793142 0.88 CYP4F2 (0.81) CYP4F2CYP4A11MEP1BCA2MAPT
SCHEMBL8799839 0.87 CYP4F2 (1.00) CYP4F2CYP4A11MEP1BCA2MAPT
SCHEMBL17563119 0.85 CYP4F2 (0.76) CYP4F2CYP4A11MEP1BCA2MAPT
SCHEMBL20178551 0.85 CYP4F2 (0.76) CYP4F2CYP4A11MEP1BMAPTNPC1
SCHEMBL11587961 0.85 CYP4F2 (0.76) CYP4F2CYP4A11MEP1BCA2MAPT
SCHEMBL5725416 0.85 CYP4A11 (0.73) CYP4F2CYP4A11LOXL2MAPTRAB9A
SCHEMBL2450193 0.84 LOXL2 (0.71) CYP4F2CYP4A11MEP1BCA2LOXL2
SCHEMBL12035616 0.84 CYP4F2 (0.75) CYP4F2CYP4A11MEP1BCA2MAPT

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
CN-109415553-A The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin 马萨诸塞大学 2019-03-01 — — CN claimed
CN-109415553-A The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin 马萨诸塞大学 2019-03-01 — — CN disclosed
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