SCHEMBL5570004

SCHEMBL5570004

CC(C)(C)CC(N)(CC(C)(C)C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.48
CA1 P00915 2/20 0.48
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.47
TYR P14679 1/20 0.47
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
ALOX15 P16050 2/20 0.42
MAPT P10636 2/20 0.42
HPN P05981 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
BLM P54132 2/20 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
SCHEMBL5570006 0.82 CA2 (0.50) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL3232508 0.80 CA2 (0.52) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL6302747 0.79 CA2 (0.47) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL5573044 0.79 CA2 (0.47) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL185063 0.77 CA2 (0.58) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL11806573 0.77 CA2 (0.48) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL5573087 0.77 NR5A2 (0.44) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL27479496 0.74 CA2 (0.50) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL35141 0.74 CA2 (0.67) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL5571047 0.74 CA2 (0.54) CA2CA1ALDH1A1SMN1; SMN2POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030040594-A1 Stabilizing high-vinyl polybutadiene BRIDGESTONE CORP. 2003-02-27 US claimed
EP-3458488-B1 PROCESS FOR PRODUCING FUNCTIONALIZED POLYMERS BRIDGESTONE CORP (JP) 2020-12-30 EP disclosed
US-20190185598-A1 Process For Producing Functionalized Polymers BRIDGESTONE CORPORATION (JP) 2019-06-20 US disclosed
US-7211619-B2 Stabilizing high-vinyl polybutadiene BRIDGESTONE CORPORATION (JP) 2007-05-01 US disclosed
US-20030040594-A1 Stabilizing high-vinyl polybutadiene BRIDGESTONE CORP. 2003-02-27 US disclosed