SCHEMBL5573044

SCHEMBL5573044

CCCC(N)(CCC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
ALDH1A1 P00352 5/20 0.45
POLB P06746 1/20 0.45
TYR P14679 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 4/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 3/20 0.41
ALOX15 P16050 2/20 0.41
HPN P05981 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
RECQL P46063 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL5573087 0.89 NR5A2 (0.44) CA2CA1ALDH1A1POLBTYR
SCHEMBL5983532 0.89 ESR1 (0.36) CA2CA1ALDH1A1POLBTYR
SCHEMBL6302747 0.85 CA2 (0.47) CA2CA1ALDH1A1POLBTYR
SCHEMBL5570006 0.85 CA2 (0.50) CA2CA1ALDH1A1POLBTYR
SCHEMBL10438865 0.81 CA2 (0.50) CA2CA1ALDH1A1POLBTYR
SCHEMBL5570004 0.79 CA2 (0.48) CA2CA1ALDH1A1POLBTYR
SCHEMBL14840226 0.78 ESR1 (0.40) NR5A2NR5A1
SCHEMBL27479496 0.77 CA2 (0.50) CA2CA1ALDH1A1POLBTYR
SCHEMBL14840470 0.76 CNR1 (0.35) NR5A2NR5A1
SCHEMBL27672193 0.76 LMNA (0.44) CA2CA1ALDH1A1POLBTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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