SCHEMBL5573025

SCHEMBL5573025

CCc1cc(C(C)(C)N)cc(CC)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
CYP2C19 P33261 3/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CYP2C9 P11712 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
DHFR P00374 2/20 0.37
HSPA5 P11021 1/20 0.36
KLF10 Q13118 1/20 0.34
HIF1A Q16665 2/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN5 P54829 1/20 0.33
IDH1 O75874 1/20 0.33
BACE1 P56817 1/20 0.32

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
SCHEMBL5571040 0.83 CYP2C19 (0.40) GABRA1GABRB2ESR1ESR2CYP2C19
SCHEMBL948481 0.82 ALOX15 (0.61) GABRA1GABRB2ESR1ESR2CYP2C19
SCHEMBL13609095 0.82 GABRA1 (0.52) GABRA1GABRB2ESR1ESR2CYP2C19
SCHEMBL199386 0.82 CYP2C19 (0.61) GABRA1GABRB2ESR1ESR2CYP2C19
SCHEMBL10051863 0.82 GABRA1 (0.52) GABRA1GABRB2ESR1ESR2CYP2C19
SCHEMBL5571045 0.81 CYP2C19 (0.41) GABRA1GABRB2ESR1CYP2C19ALOX15
SCHEMBL3656530 0.80 ALOX15 (0.59) GABRA1GABRB2ESR1ESR2CYP2C19
SCHEMBL9861458 0.80 GABRA1 (0.50) GABRA1GABRB2ESR1ESR2CYP2C19
SCHEMBL8091523 0.78 GABRA1 (0.48) GABRA1GABRB2ESR1ESR2CYP2C19
SCHEMBL5017360 0.77 ALOX15 (0.55) GABRA1GABRB2ESR1ESR2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211619-B2 Stabilizing high-vinyl polybutadiene BRIDGESTONE CORPORATION (JP) 2007-05-01 US claimed
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