SCHEMBL5573087

SCHEMBL5573087

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.44
NR5A1 Q13285 1/20 0.44
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.39
ALOX15 P16050 2/20 0.39
MAPT P10636 2/20 0.39
HPN P05981 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39

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
SCHEMBL14840226 0.89 ESR1 (0.40) NR5A2NR5A1ESR1ESR2
SCHEMBL5573044 0.89 CA2 (0.47) NR5A2NR5A1CA2CA1ALDH1A1
SCHEMBL14840470 0.84 CNR1 (0.35) NR5A2NR5A1ESR1ESR2
SCHEMBL14840313 0.83 CNR1 (0.38)
SCHEMBL6302747 0.82 CA2 (0.47) CA2CA1ALDH1A1POLBTYR
SCHEMBL5570006 0.82 CA2 (0.50) CA2CA1ALDH1A1POLBTYR
SCHEMBL5983532 0.78 ESR1 (0.36) CA2CA1ALDH1A1POLBTYR
SCHEMBL11233052 0.77 CNR2 (0.51) NR5A2NR5A1CA2CA1ALDH1A1
SCHEMBL185063 0.77 CA2 (0.58) CA2CA1ALDH1A1POLBTYR
SCHEMBL5570004 0.77 CA2 (0.48) 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 7 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
EP-3458488-A1 PROCESS FOR PRODUCING FUNCTIONALIZED POLYMERS Bridgestone Corporation (JP) 2019-03-27 EP disclosed
WO-2017201397-A1 PROCESS FOR PRODUCING FUNCTIONALIZED POLYMERS BRIDGESTONE CORPORATION (JP) 2017-11-23 WO 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