SCHEMBL29384928

SCHEMBL29384928

COc1cc2c(cc1O)OC1c3c(cc4c(c3OC)C=CC(C)(C)O4)OCC21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.62
▸ PTPN1 P18031 5/20 0.61
▸ CYP3A4 P08684 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MGAM O43451 1/20 0.44
▸ ODC1 P11926 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40

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
SCHEMBL23483682 0.77 HSD17B1 (1.00) HSD17B1PTPN1MGAMODC1
SCHEMBL22948232 0.77 HSD17B1 (1.00) HSD17B1PTPN1MGAMODC1
SCHEMBL30260469 0.77 HSD17B1 (1.00) HSD17B1PTPN1MGAMODC1
SCHEMBL29377397 0.76 PTPN1 (1.00) HSD17B1PTPN1
SCHEMBL29547752 0.70 MAOA (0.56) HSD17B1PTPN1CYP3A4MAPTTDP1
SCHEMBL29473025 0.69 MAOA (0.64) PTPN1CYP3A4MAPTTDP1ALDH1A1
Toxicarol SCHEMBL4742046 0.67 CYP3A4 (1.00) HSD17B1PTPN1CYP3A4SMN1; SMN2MAPT
Toxicarol SCHEMBL25199717 0.67 CYP3A4 (1.00) HSD17B1PTPN1CYP3A4SMN1; SMN2MAPT
SCHEMBL19365481 0.67 CYP3A4 (0.86) PTPN1CYP3A4SMN1; SMN2MAPTTDP1
SCHEMBL16694452 0.67 CYP3A4 (0.86) PTPN1CYP3A4SMN1; SMN2MAPTTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114031984-A Anti-sticking coating for tobacco processing equipment and preparation method thereof 湖北金天叶科技有限公司 2022-02-11 — — CN claimed
CN-113925869-B Application of loratadine in preparing medicament for preventing and treating Vsig4 related diseases 深圳弘汇生物医药有限公司 2023-03-21 — — CN disclosed
CN-114514035-A Compositions and methods for delivering therapeutic biologies for treatment of diseases 伊勒卓菲公司 2022-05-17 — — CN disclosed
Send feedback