SCHEMBL11801650

SCHEMBL11801650

CC=CC(=O)Oc1cc(C(C)(C)CCC)c(O)c(C(C)(C)CCC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
ALOX5 P09917 1/20 0.33
ELANE P08246 1/20 0.33
VCAM1 P19320 4/20 0.32
GAA P10253 1/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
ESR1 P03372 1/20 0.31
GSTP1 P09211 1/20 0.31

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
SCHEMBL11801640 1.00 MEN1 (0.37) MEN1MAPTKMT2ACA2CA1
SCHEMBL11803945 0.87 HCAR2 (0.38) MEN1MAPTKMT2ACA2CA1
SCHEMBL11803935 0.87 HCAR2 (0.38) MEN1MAPTKMT2ACA2CA1
SCHEMBL11805701 0.84 THRB (0.44) MEN1MAPTKMT2ACA2CA1
SCHEMBL11796840 0.83 TNFRSF1A (0.49) MEN1MAPTKMT2AL3MBTL1LMNA
SCHEMBL11796835 0.83 TNFRSF1A (0.49) MEN1MAPTKMT2AL3MBTL1LMNA
SCHEMBL11800065 0.82 CA2 (0.52) MEN1MAPTKMT2ACA2CA1
SCHEMBL11564311 0.82 CA2 (0.52) MEN1MAPTKMT2ACA2CA1
SCHEMBL11794635 0.81 CA1 (0.41) MEN1MAPTKMT2ACA2CA1
SCHEMBL11807419 0.77 ELANE (0.36) KMT2ACA2CA1GPR55ELANE

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-3953402-A COPOLYMER OF A P-HYDROXYPHENYL ACRYLATE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-04-27 US disclosed