SCHEMBL5571045

SCHEMBL5571045

CC(C)(C)Cc1cc(C(C)(C)N)cc(CC(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.41
ALOX15 P16050 3/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ESR1 P03372 1/20 0.34
IDH1 O75874 2/20 0.33
KLF10 Q13118 1/20 0.33
HIF1A Q16665 4/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 2/20 0.30
CYP3A4 P08684 2/20 0.30
HSD17B10 Q99714 2/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL5573025 0.81 GABRA1 (0.48) CYP2C19ALOX15MAPK1HTTESR1
SCHEMBL5571040 0.78 CYP2C19 (0.40) CYP2C19ALOX15MAPK1HTTESR1
SCHEMBL10494911 0.76 CYP2C19 (0.53) CYP2C19ALOX15MAPK1HTTESR1
SCHEMBL5865868 0.76 ESR1 (0.48) CYP2C19ALOX15MAPK1HTTESR1
SCHEMBL14702172 0.75 CYP2C19 (0.50) CYP2C19ALOX15MAPK1HTTESR1
SCHEMBL17500132 0.73 CYP2C19 (0.50) CYP2C19ALOX15MAPK1HTTESR1
SCHEMBL17500076 0.72 ALDH1A1 (0.48) CYP2C19ALOX15MAPK1HTTHIF1A
SCHEMBL3286347 0.71 CYP1A2 (0.38) CYP2C19ALOX15MAPK1HTTESR1
SCHEMBL25865913 0.71 ALOX15 (0.35) CYP2C19ALOX15MAPK1HTTIDH1
SCHEMBL5573498 0.70 ESR1 (0.50) CYP2C19ALOX15ESR1HIF1ACYP2C9

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 8 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
US-20220153885-A1 PROCESS FOR PRODUCING FUNCTIONALIZED POLYMERS BRIDGESTONE CORPORATION (JP) 2022-05-19 US disclosed
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