SCHEMBL19976280

SCHEMBL19976280

Cc1ccc(C)n1COc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
HPRT1 P00492 1/20 0.36
IKBKB O14920 1/20 0.35
BACE1 P56817 1/20 0.34
HTR7 P34969 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PTGER1 P34995 1/20 0.33
SLC6A9 P48067 1/20 0.33
GSTP1 P09211 1/20 0.33
BRD4 O60885 1/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FYN P06241 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL21242380 0.77 PTGS1 (0.37) PTGS1HPRT1IKBKBBACE1HTR7
SCHEMBL2096573 0.69 PDE4B (0.55) HPRT1IKBKBBACE1PDE4APDE4B
SCHEMBL5988287 0.68 PTPN1 (0.55) PTGS1PTGDR2PTPN1PPARG
SCHEMBL25913665 0.68 LTA4H (0.37) IKBKBBACE1HTR7SLC6A9GSTP1
SCHEMBL27831222 0.68 TDP1 (0.54) PTPN1ALDH1A1MAPTSMN1; SMN2PPARG
SCHEMBL12325398 0.67 PDE4B (0.56) IKBKBBACE1PDE4APDE4BPDE4C
SCHEMBL20663065 0.66 PTGS1 (0.58) PTGS1HPRT1BACE1PTPN1ALDH1A1
SCHEMBL29065606 0.65 PTPN1 (0.41) PTGS1HPRT1IKBKBBACE1PDE4A
SCHEMBL27862699 0.65 PTPN1 (0.41) PTGS1HPRT1IKBKBBACE1PDE4A
SCHEMBL2096572 0.65 PTPN1 (0.41) PTGS1HPRT1IKBKBBACE1PDE4A

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-9919299-B2 Metathesis catalysts and reactions using the catalysts XIMO AG (CH) 2018-03-20 US disclosed