SCHEMBL3127352

SCHEMBL3127352

C=Cc1ccc2c(c1)C=CC(C)(C)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.50
ODC1 P11926 1/20 0.44
XDH P47989 2/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CA7 P43166 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL30423545 0.83 PTPN1 (0.53) PTPN1ODC1XDHPTGS1PTGS2
SCHEMBL2562692 0.83 PTPN1 (0.53) PTPN1ODC1XDHPTGS1PTGS2
SCHEMBL30871946 0.78 PTPN1 (0.55) PTPN1ODC1XDHPTGS1PTGS2
SCHEMBL29216366 0.78 PTPN1 (0.55) PTPN1ODC1XDHPTGS1PTGS2
SCHEMBL29999188 0.77 PTPN1 (0.54) PTPN1ODC1XDHPTGS1PTGS2
Chromene SCHEMBL6271733 0.76 PTPN1 (0.65) PTPN1ODC1XDHALDH1A1HPGD
Chromene SCHEMBL29999350 0.76 PTPN1 (0.65) PTPN1ODC1XDHALDH1A1HPGD
Chromene SCHEMBL29644881 0.76 PTPN1 (0.65) PTPN1ODC1XDHALDH1A1HPGD
SCHEMBL7738844 0.75 HIF1A (0.58) PTPN1ODC1XDHPTGS1PTGS2
SCHEMBL3049240 0.75 ALDH1A1 (0.46) PTPN1ODC1XDHPTGS1PTGS2

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