SCHEMBL3130630

SCHEMBL3130630

CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4O)coc13)C=CC(C)(C)O2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.77
CYP3A4 P08684 4/20 0.69
MAPT P10636 4/20 0.69
MAPK1 P28482 3/20 0.69
MEN1 O00255 3/20 0.69
USP2 O75604 3/20 0.69
ALOX15 P16050 3/20 0.69
KMT2A Q03164 3/20 0.69
HDAC3 O15379 2/20 0.69
ALDH1A1 P00352 2/20 0.69
TP53 P04637 2/20 0.69
HDAC4 P56524 2/20 0.69
HDAC1 Q13547 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
HDAC7 Q8WUI4 2/20 0.69
HDAC2 Q92769 2/20 0.69
HDAC10 Q969S8 2/20 0.69
HDAC11 Q96DB2 2/20 0.69
HDAC8 Q9BY41 2/20 0.69
HDAC6 Q9UBN7 2/20 0.69

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
SCHEMBL29394653 1.00 PTPN1 (0.77) PTPN1CYP3A4MAPTMAPK1MEN1
SCHEMBL669210 0.91 PTPN1 (0.72) PTPN1CYP3A4MAPTMAPK1MEN1
Warangalone SCHEMBL571534 0.89 PTPN1 (0.86) PTPN1CYP3A4MAPTMAPK1MEN1
Auriculasin SCHEMBL30288227 0.87 PTPN1 (1.00) PTPN1CYP3A4MAPTMAPK1MEN1
Auriculasin SCHEMBL25989454 0.87 PTPN1 (1.00) PTPN1CYP3A4MAPTMAPK1MEN1
Auriculasin SCHEMBL29378888 0.87 PTPN1 (1.00) PTPN1CYP3A4MAPTMAPK1MEN1
SCHEMBL11911700 0.85 PTPN1 (0.81) PTPN1CYP3A4MAPTMAPK1MEN1
SCHEMBL30643540 0.83 PTPN1 (0.83) PTPN1CYP3A4MAPTMAPK1MEN1
SCHEMBL15942840 0.82 PTPN1 (0.77) PTPN1CYP3A4MAPTMAPK1MEN1
Osajin SCHEMBL571689 0.82 PTPN1 (1.00) PTPN1CYP3A4MAPTMAPK1MEN1

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
US-20100009927-A1 Anti-Inflammatory and Anti-Allergy Extracts from Nettle HERBALSCIENCE GROUP LLC (US) 2010-01-14 US disclosed