SCHEMBL28280202

SCHEMBL28280202

CCOC(=O)c1ccc(CCC(N)CC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAOA P21397 1/20 0.54
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA12 O43570 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.48
STS P08842 1/20 0.47
PTPN1 P18031 1/20 0.46
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
HTT P42858 3/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL10563643 1.00 LMNA (0.54) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL28281317 0.91 LMNA (0.51) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL7763636 0.83 CA12 (0.53) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL5962512 0.83 SMN1; SMN2 (0.56) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL16982005 0.83 CA12 (0.56) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL7768813 0.82 CA12 (0.51) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL12199135 0.82 CA1 (0.68) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL10564913 0.80 S1PR1 (0.47) F2F10S1PR2S1PR1KDM4E
SCHEMBL8820472 0.79 CA12 (0.59) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL5734417 0.79 LMNA (0.68) LMNACYP1A2CYP3A4MAOACA1

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