SCHEMBL30912243

SCHEMBL30912243

CN(C)c1ccc(C2(c3ccccc3)Oc3ccccc3C(=O)C2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
HPGD P15428 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
CYP3A4 P08684 3/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.39
MAOB P27338 2/20 0.38
ELANE P08246 1/20 0.38
MAOA P21397 1/20 0.38
CISD1 Q9NZ45 1/20 0.38
MIF P14174 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
APP P05067 4/20 0.35
MAPT P10636 4/20 0.35
SNCA P37840 4/20 0.35
RAB9A P51151 3/20 0.35

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
SCHEMBL31443278 0.75 HSP90AA1 (0.40) ALDH1A1TDP1CYP3A4HSD17B10ALOX15
SCHEMBL28140395 0.73 CYP3A4 (0.47) CYP3A4ALOX15MEN1KMT2AMAPT
SCHEMBL28547472 0.72 CYP19A1 (0.47) ALDH1A1HPGDTDP1CYP3A4HIF1A
SCHEMBL3289417 0.72 CYP3A4 (0.42) ALDH1A1CYP3A4ALOX15MAOBMEN1
SCHEMBL28320415 0.69 RET (0.41) ALDH1A1CYP3A4ALOX15MAOBMEN1
SCHEMBL5830003 0.68 IDO1 (0.40) ALDH1A1CYP3A4ALOX15MAPK1TSHR
SCHEMBL28459231 0.68 SMN1; SMN2 (0.46) ALDH1A1TDP1CYP3A4ALOX15MEN1
SCHEMBL9328770 0.67 CFTR (0.73) ALDH1A1HPGDTDP1CYP3A4HIF1A
SCHEMBL29216009 0.67 HSP90AA1 (0.41) ALDH1A1CYP3A4HIF1AHSD17B10ALOX15
SCHEMBL7513764 0.65 CYP3A4 (0.42) ALDH1A1TDP1CYP3A4ALOX15MAOB

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-118086449-A Nanofiber sensor for simultaneously detecting two pathogenic bacteria and preparation method thereof 东华大学 2024-05-28 CN claimed
CN-118086449-A Nanofiber sensor for simultaneously detecting two pathogenic bacteria and preparation method thereof 东华大学 2024-05-28 CN disclosed