SCHEMBL6906774

SCHEMBL6906774

COC(=O)c1cc(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
PTPN11 Q06124 1/20 0.55
MAPT P10636 3/20 0.52
ALDH1A1 P00352 5/20 0.51
GAA P10253 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 2/20 0.47
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.45
NFKB1 P19838 1/20 0.45
XDH P47989 1/20 0.45
GFER P55789 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
FUT7 Q11130 1/20 0.45

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
SCHEMBL755528 0.86 GAA (0.59) KDM4EALDH1A1GAATDP1LMNA
SCHEMBL11582597 0.85 L3MBTL1 (0.54) ALDH1A1GAATDP1LMNAMEN1
SCHEMBL6243144 0.84 KDM4E (0.72) KDM4EPTPN11MAPTALDH1A1LMNA
SCHEMBL6907923 0.80 GAA (0.59) KDM4EALDH1A1GAATDP1LMNA
SCHEMBL24170761 0.77 CA2 (0.55) KDM4EALDH1A1GAATDP1LMNA
SCHEMBL11657294 0.77 VCAM1 (0.51) KDM4EALDH1A1GAATDP1LMNA
SCHEMBL21702867 0.77 GAA (0.49) KDM4EALDH1A1GAATDP1LMNA
SCHEMBL3655211 0.77 NQO2 (0.62) MAPTALDH1A1GAATDP1MEN1
SCHEMBL30924510 0.76 GAA (0.52) KDM4EALDH1A1GAATDP1LMNA
SCHEMBL6544007 0.76 GAA (0.50) MAPTALDH1A1GAATDP1LMNA

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
US-20040192816-A1 Product in subdivided form for preparing crosslinkable elastomeric compositions PIRELLI PNEUMATICI S.P.A. (IT) 2004-09-30 US disclosed
US-4094857-A Copolymerizable phenolic antioxidant E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-06-13 US disclosed